N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide

C8H6N2O2 — CID 130614291

IUPACN-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C8H6N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h1,3-5H,(H,9,12)(H,10,11)
InChIKeyPGADHLJOHFGYFB-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.05
Rot. Bonds1

About N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide

N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide (PubChem CID 130614291) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide
PubChem CID130614291
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC NameN-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C8H6N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h1,3-5H,(H,9,12)(H,10,11)
InChIKeyPGADHLJOHFGYFB-UHFFFAOYSA-N
XLogP-0.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide?
The IUPAC name of N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide (CID 130614291) is N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide is C#CC(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide?
The InChIKey is PGADHLJOHFGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h1,3-5H,(H,9,12)(H,10,11).
What are the key properties of N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide?
N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide has a molecular weight of 162.15 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-3-yl)prop-2-ynamide is sourced from PubChem (CID 130614291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).