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Chemical ID: 6038135

Cc1cnc(cn1)C(=O)N(CCC(=O)NCc2cccnc2)Cc3ccc(cc3)F

Chemical ID:

6038135

Name [?]:

N-[(4-fluorophenyl)methyl]-5-methyl-N-[2-(3-pyridylmethylcarbamoyl)ethyl]pyrazine-2-carboxamide

SMILES [?]:

Cc1cnc(cn1)C(=O)N(CCC(=O)NCc2cccnc2)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C22H22FN5O2/c1-16-11-26-20(14-25-16)22(30)28(15-17-4-6-19(23)7-5-17)10-8-21(29)27-13-18-3-2-9-24-12-18/h2-7,9,11-12,14H,8,10,13,15H2,1H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,19,18,25,29,26,28,12,20,11,3,22,16,6,23,2,24,17,27,5,13,8,30,21,7,4,15,10,14,9/E:(4,5)(6,7)/rA:30nCCCNCCNCONCCCONCCCCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s10;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂FN₅O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0184
Area:	638.059
Solvation:	-4.93304
Coulombic:	-57.0097

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	407.441
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.61
LogP (Chemaxon):	0.62

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value