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Chemical ID: 7060428

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3cccnc3

Chemical ID:

7060428

Name [?]:

1-(3-diethylaminopropyl)-3-hydroxy-5-(3-pyridyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one

SMILES [?]:

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3cccnc3

InChi [?]:

InChI=1/C22H26N4O3/c1-3-25(4-2)13-6-14-26-19(17-7-5-10-24-15-17)18(21(28)22(26)29)20(27)16-8-11-23-12-9-16/h5,7-12,15,19,28H,3-4,6,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,26,7,25,19,23,27,20,22,6,8,29,18,24,11,10,16,12,13,21,28,3,9,17,15,14/E:(1,2)(3,4)(8,9)(11,12)/rA:29cCCNCCCCCNCCCCOOCOCCCNCCCCCCNC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s9s12;d13;s12;s11;d16;s16;s18;d19;s20;d21;d18s22;s10;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₄O₃
All Atoms:	55
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6912
Area:	645.904
Solvation:	-5.45636
Coulombic:	-55.1566

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.75
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value