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Chemical ID: 5639375
Chemical ID:
5639375
Name [?]:
2-(2-hydroxyethylamino)pyridine-3-carboxamide
SMILES [?]:
c1cc(c(nc1)NCCO)C(=O)N
InChi [?]:
InChI=1/C8H11N3O2/c9-7(13)6-2-1-3-10-8(6)11-4-5-12/h1-3,12H,4-5H2,(H2,9,13)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,9,3,11,4,13,5,7,10,12/rA:13nCCCCNCNCCOCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s3;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N3O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.86459 |
Area: | 348.417 |
Solvation: | -3.84583 |
Coulombic: | -58.223 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 181.192 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.25 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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