4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide

C16H14N2O2 — CID 63669871

IUPAC4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1NC(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C16H14N2O2/c1-12-11-17-9-8-15(12)18-16(20)14-6-4-13(5-7-14)3-2-10-19/h4-9,11,19H,10H2,1H3,(H,17,18,20)
InChIKeyJUMYEUSZUROHPS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds2

About 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide

4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide (PubChem CID 63669871) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide
PubChem CID63669871
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1NC(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C16H14N2O2/c1-12-11-17-9-8-15(12)18-16(20)14-6-4-13(5-7-14)3-2-10-19/h4-9,11,19H,10H2,1H3,(H,17,18,20)
InChIKeyJUMYEUSZUROHPS-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.99
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

3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 63798029
N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 107595297
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylbenzamide
CID 107589626
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 56783123
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63328163
3-(methanesulfonamido)-4-methyl-N-(3-methyl-4-pyridinyl)benzamide
CID 56803470
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-methylpyridine-3-carboxamide
CID 60805057
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide (CID 63669871) is 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide is Cc1cnccc1NC(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is JUMYEUSZUROHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-11-17-9-8-15(12)18-16(20)14-6-4-13(5-7-14)3-2-10-19/h4-9,11,19H,10H2,1H3,(H,17,18,20).
What are the key properties of 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide?
4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 63669871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).