Chemical ID: 3934250

CCCNc1c(cccn1)C(=O)N
Chemical ID:
3934250
Name [?]:
2-propylaminopyridine-3-carboxamide
SMILES [?]:
CCCNc1c(cccn1)C(=O)N
InChi [?]:
InChI=1/C9H13N3O/c1-2-5-11-9-7(8(10)13)4-3-6-12-9/h3-4,6H,2,5H2,1H3,(H2,10,13)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,3,9,6,11,5,13,4,10,12/rA:13nCCCNCCCCCNCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s6;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N3O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.68068
Area:356.913
Solvation:-2.24214
Coulombic:-42.8605
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:179.219
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.24
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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