3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide

C13H12N4O2 — CID 107522748

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1ncccc1C#CCO
InChIInChI=1S/C13H12N4O2/c18-6-2-4-10-3-1-5-15-12(10)13(19)16-8-11-7-14-9-17-11/h1,3,5,7,9,18H,6,8H2,(H,14,17)(H,16,19)
InChIKeyLJZJXJWHXBJZRY-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.08
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 107522748) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID107522748
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1ncccc1C#CCO
InChIInChI=1S/C13H12N4O2/c18-6-2-4-10-3-1-5-15-12(10)13(19)16-8-11-7-14-9-17-11/h1,3,5,7,9,18H,6,8H2,(H,14,17)(H,16,19)
InChIKeyLJZJXJWHXBJZRY-UHFFFAOYSA-N
XLogP0.08
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106383172
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide
CID 107589634
2-(3-hydroxyprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231168
3-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 107521456
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107520897
3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 107523313
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
3-(3-hydroxyprop-1-ynyl)-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 107523295
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135
3-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 107523195

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide (CID 107522748) is 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cnc[nH]1)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is LJZJXJWHXBJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-6-2-4-10-3-1-5-15-12(10)13(19)16-8-11-7-14-9-17-11/h1,3,5,7,9,18H,6,8H2,(H,14,17)(H,16,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107522748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).