4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide

C16H14N2O2 — CID 60817307

IUPAC4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H14N2O2/c19-12-4-2-5-13-7-9-14(10-8-13)16(20)18-15-6-1-3-11-17-15/h1,3,6-11,19H,4,12H2,(H,17,18,20)
InChIKeyLLVPBXNWULWKGQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.07
Rot. Bonds3

About 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide

4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide (PubChem CID 60817307) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
PubChem CID60817307
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H14N2O2/c19-12-4-2-5-13-7-9-14(10-8-13)16(20)18-15-6-1-3-11-17-15/h1,3,6-11,19H,4,12H2,(H,17,18,20)
InChIKeyLLVPBXNWULWKGQ-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-N-pyridin-2-ylbenzamide
CID 135042338
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389040
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
3-(4-hydroxybut-1-ynyl)-N-pyrazin-2-ylbenzamide
CID 60817360
N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 107595297
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
5-(4-hydroxybut-1-ynyl)-N-pyridazin-3-ylpyridine-2-carboxamide
CID 116787521

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide (CID 60817307) is 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(C#CCCO)cc1.
What is the InChIKey of 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
The InChIKey is LLVPBXNWULWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-12-4-2-5-13-7-9-14(10-8-13)16(20)18-15-6-1-3-11-17-15/h1,3,6-11,19H,4,12H2,(H,17,18,20).
What are the key properties of 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 60817307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).