3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide

C15H13N3O2 — CID 66483603

IUPAC3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccccn1)c1ccncc1C#CCCO
InChIInChI=1S/C15H13N3O2/c19-10-4-2-5-12-11-16-9-7-13(12)15(20)18-14-6-1-3-8-17-14/h1,3,6-9,11,19H,4,10H2,(H,17,18,20)
InChIKeyQFQGAEFHAGQCDS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.46
Rot. Bonds3

About 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide (PubChem CID 66483603) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
PubChem CID66483603
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccccn1)c1ccncc1C#CCCO
InChIInChI=1S/C15H13N3O2/c19-10-4-2-5-12-11-16-9-7-13(12)15(20)18-14-6-1-3-8-17-14/h1,3,6-9,11,19H,4,10H2,(H,17,18,20)
InChIKeyQFQGAEFHAGQCDS-UHFFFAOYSA-N
XLogP1.46
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 66484785
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 66482445
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 79360832
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
CID 66483410
3-(4-hydroxybut-1-ynyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283690
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
3-(4-hydroxybut-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106406611

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide (CID 66483603) is 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide is O=C(Nc1ccccn1)c1ccncc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide?
The InChIKey is QFQGAEFHAGQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-10-4-2-5-12-11-16-9-7-13(12)15(20)18-14-6-1-3-8-17-14/h1,3,6-9,11,19H,4,10H2,(H,17,18,20).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 66483603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).