N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide

C15H13N3O2 — CID 60803050

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNCC#Cc1ccccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H13N3O2/c16-9-3-6-11-5-1-2-8-13(11)18-15(20)12-7-4-10-17-14(12)19/h1-2,4-5,7-8,10H,9,16H2,(H,17,19)(H,18,20)
InChIKeyYOXKCEUZUWIJRV-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.94
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 60803050) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID60803050
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNCC#Cc1ccccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H13N3O2/c16-9-3-6-11-5-1-2-8-13(11)18-15(20)12-7-4-10-17-14(12)19/h1-2,4-5,7-8,10H,9,16H2,(H,17,19)(H,18,20)
InChIKeyYOXKCEUZUWIJRV-UHFFFAOYSA-N
XLogP0.94
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.94
H-Bond Donors ≤ 53
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)-5-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 82750300
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 43111877
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106688746
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272339
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746870
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214095
N-[2-(3-aminoprop-1-ynyl)phenyl]-3-chloro-5-methylbenzamide
CID 81315690

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 60803050) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide is NCC#Cc1ccccc1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YOXKCEUZUWIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-9-3-6-11-5-1-2-8-13(11)18-15(20)12-7-4-10-17-14(12)19/h1-2,4-5,7-8,10H,9,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).