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Chemical ID: 6039276

Chemical ID:

6039276

Name [?]:

N-pentyl-N-[2-(3-pyridylmethylcarbamoyl)ethyl]pyrazine-2-carboxamide

SMILES [?]:

CCCCCN(CCC(=O)NCc1cccnc1)C(=O)c2cnccn2

InChi [?]:

InChI=1/C19H25N5O2/c1-2-3-4-11-24(19(26)17-15-21-9-10-22-17)12-7-18(25)23-14-16-6-5-8-20-13-16/h5-6,8-10,13,15H,2-4,7,11-12,14H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,15,14,8,16,24,25,5,7,18,12,22,13,21,9,19,17,23,26,11,6,10,20/rA:26nCCCCCNCCCONCCCCCNCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s6;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅N₅O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3599
Area:	610.423
Solvation:	-3.90071
Coulombic:	-53.2594

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	355.434
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.35
LogP (Chemaxon):	0.14

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value