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

C12H10N4O2 — CID 63564141

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cncc(C#CCO)c1
InChIInChI=1S/C12H10N4O2/c17-5-1-2-9-6-10(8-13-7-9)11(18)16-12-14-3-4-15-12/h3-4,6-8,17H,5H2,(H2,14,15,16,18)
InChIKeyQJHJGBSEKNIMSJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.40
Rot. Bonds2

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

5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide (PubChem CID 63564141) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
PubChem CID63564141
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cncc(C#CCO)c1
InChIInChI=1S/C12H10N4O2/c17-5-1-2-9-6-10(8-13-7-9)11(18)16-12-14-3-4-15-12/h3-4,6-8,17H,5H2,(H2,14,15,16,18)
InChIKeyQJHJGBSEKNIMSJ-UHFFFAOYSA-N
XLogP0.40
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.40
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

5-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 54974892
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide
CID 79696851
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
CID 63562624
5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62914339
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
5-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102820811
N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 102807001
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide (CID 63564141) is 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide is O=C(Nc1ncc[nH]1)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QJHJGBSEKNIMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-5-1-2-9-6-10(8-13-7-9)11(18)16-12-14-3-4-15-12/h3-4,6-8,17H,5H2,(H2,14,15,16,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63564141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).