Chemical ID: 6355907

c1cc(c(nc1)Cl)C(=O)NCc2ccncc2
Chemical ID:
6355907
Name [?]:
2-chloro-N-(4-pyridylmethyl)pyridine-3-carboxamide
SMILES [?]:
c1cc(c(nc1)Cl)C(=O)NCc2ccncc2
InChi [?]:
InChI=1/C12H10ClN3O/c13-11-10(2-1-5-15-11)12(17)16-8-9-3-6-14-7-4-9/h1-7H,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,17,6,14,16,11,12,3,4,8,7,15,5,10,9/E:(3,4)(6,7)/rA:17nCCCCNCClCONCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s3;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClN3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.69348
Area:429.946
Solvation:-3.05516
Coulombic:-31.4157
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.68
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.34
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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