3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide

C13H16N4O2 — CID 91649854

IUPAC3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ncccc1O)Cn1ccnc1
InChIInChI=1S/C13H16N4O2/c1-10(8-17-6-5-14-9-17)7-16-13(19)12-11(18)3-2-4-15-12/h2-6,9-10,18H,7-8H2,1H3,(H,16,19)
InChIKeyWTKHUOJBVWRLDW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.05
Rot. Bonds5

About 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide

3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide (PubChem CID 91649854) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
PubChem CID91649854
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ncccc1O)Cn1ccnc1
InChIInChI=1S/C13H16N4O2/c1-10(8-17-6-5-14-9-17)7-16-13(19)12-11(18)3-2-4-15-12/h2-6,9-10,18H,7-8H2,1H3,(H,16,19)
InChIKeyWTKHUOJBVWRLDW-UHFFFAOYSA-N
XLogP1.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 115302635
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195
2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide
CID 96570316
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
N-(3-imidazol-1-yl-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 122141828
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
CID 124589580
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96570332
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 96570313
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 96570314
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-2H-chromene-3-carboxamide
CID 124589802

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide (CID 91649854) is 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide is CC(CNC(=O)c1ncccc1O)Cn1ccnc1.
What is the InChIKey of 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is WTKHUOJBVWRLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10(8-17-6-5-14-9-17)7-16-13(19)12-11(18)3-2-4-15-12/h2-6,9-10,18H,7-8H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide?
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 91649854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).