N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide

C17H16N2O2 — CID 60802619

IUPACN-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccccn2)c(C#CCO)c1
InChIInChI=1S/C17H16N2O2/c1-13-7-8-16(14(11-13)5-4-10-20)19-17(21)12-15-6-2-3-9-18-15/h2-3,6-9,11,20H,10,12H2,1H3,(H,19,21)
InChIKeyJQRHRSLSIHUSQZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.92
Rot. Bonds3

About N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide

N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide (PubChem CID 60802619) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
PubChem CID60802619
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccccn2)c(C#CCO)c1
InChIInChI=1S/C17H16N2O2/c1-13-7-8-16(14(11-13)5-4-10-20)19-17(21)12-15-6-2-3-9-18-15/h2-3,6-9,11,20H,10,12H2,1H3,(H,19,21)
InChIKeyJQRHRSLSIHUSQZ-UHFFFAOYSA-N
XLogP1.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.92
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

N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60803080
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-2-ylacetamide
CID 81260163
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide
CID 107578033
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
CID 60804524
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82766969
ethyl N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]carbamate
CID 60813703
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60803312
3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60802956
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide (CID 60802619) is N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide is Cc1ccc(NC(=O)Cc2ccccn2)c(C#CCO)c1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
The InChIKey is JQRHRSLSIHUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-8-16(14(11-13)5-4-10-20)19-17(21)12-15-6-2-3-9-18-15/h2-3,6-9,11,20H,10,12H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide has a molecular weight of 280.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 60802619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).