N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide

C17H16N2O2 — CID 107578033

IUPACN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide
SMILESCc1cc(C#CCO)cc(NC(=O)Cc2ccccn2)c1
InChIInChI=1S/C17H16N2O2/c1-13-9-14(5-4-8-20)11-16(10-13)19-17(21)12-15-6-2-3-7-18-15/h2-3,6-7,9-11,20H,8,12H2,1H3,(H,19,21)
InChIKeyJRBDNLAPOFBDHJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.92
Rot. Bonds3

About N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide

N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide (PubChem CID 107578033) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide
PubChem CID107578033
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide
SMILESCc1cc(C#CCO)cc(NC(=O)Cc2ccccn2)c1
InChIInChI=1S/C17H16N2O2/c1-13-9-14(5-4-8-20)11-16(10-13)19-17(21)12-15-6-2-3-7-18-15/h2-3,6-7,9-11,20H,8,12H2,1H3,(H,19,21)
InChIKeyJRBDNLAPOFBDHJ-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-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60802619
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide
CID 107578107
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-2-ylacetamide
CID 81260163
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 107577890
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3,4,4-trimethylpentanamide
CID 107578011
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1H-pyrrole-2-carboxamide
CID 107577901
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60803080
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 107578023

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide (CID 107578033) is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide is Cc1cc(C#CCO)cc(NC(=O)Cc2ccccn2)c1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide?
The InChIKey is JRBDNLAPOFBDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-9-14(5-4-8-20)11-16(10-13)19-17(21)12-15-6-2-3-7-18-15/h2-3,6-7,9-11,20H,8,12H2,1H3,(H,19,21).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide?
N-[3-(3-hydroxyprop-1-ynyl)-5-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-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 107578033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).