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Chemical ID: 3934250
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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