3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

C15H16N4O2 — CID 107521201

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ncccc1C#CCO
InChIInChI=1S/C15H16N4O2/c20-11-2-5-13-4-1-6-17-14(13)15(21)18-7-3-9-19-10-8-16-12-19/h1,4,6,8,10,12,20H,3,7,9,11H2,(H,18,21)
InChIKeyIPCSZFZOPSLFTG-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.44
Rot. Bonds5

About 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 107521201) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
PubChem CID107521201
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ncccc1C#CCO
InChIInChI=1S/C15H16N4O2/c20-11-2-5-13-4-1-6-17-14(13)15(21)18-7-3-9-19-10-8-16-12-19/h1,4,6,8,10,12,20H,3,7,9,11H2,(H,18,21)
InChIKeyIPCSZFZOPSLFTG-UHFFFAOYSA-N
XLogP0.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
3-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 107523195
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
4-(3-aminoprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 60821775
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
CID 71688676
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (CID 107521201) is 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is O=C(NCCCn1ccnc1)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The InChIKey is IPCSZFZOPSLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-11-2-5-13-4-1-6-17-14(13)15(21)18-7-3-9-19-10-8-16-12-19/h1,4,6,8,10,12,20H,3,7,9,11H2,(H,18,21).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 107521201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).