Chemical ID: 4740677

c1ccnc(c1)CNC(=O)CC#N
Chemical ID:
4740677
Name [?]:
3-nitrido-N-(2-pyridylmethyl)propanamide
SMILES [?]:
c1ccnc(c1)CNC(=O)CC#N
InChi [?]:
InChI=1/C9H9N3O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4,7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,7,5,9,13,4,8,10/rA:13nCCCNCCCNCOCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.54033
Area:367.877
Solvation:-3.65659
Coulombic:-26.0318
Bond Count [?]
All:13
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:175.187
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.15
LogP (Chemaxon):0.03

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Descriptor Annotations

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