N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide

C9H10N2O2 — CID 54040888

IUPACN-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)[nH]c1=O
InChIInChI=1S/C9H10N2O2/c1-3-8(12)11-7-5-4-6(2)10-9(7)13/h3-5H,1H2,2H3,(H,10,13)(H,11,12)
InChIKeyLMGGLZNKABEUEV-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.81
Rot. Bonds2

About N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide

N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide (PubChem CID 54040888) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide
PubChem CID54040888
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)[nH]c1=O
InChIInChI=1S/C9H10N2O2/c1-3-8(12)11-7-5-4-6(2)10-9(7)13/h3-5H,1H2,2H3,(H,10,13)(H,11,12)
InChIKeyLMGGLZNKABEUEV-UHFFFAOYSA-N
XLogP0.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide?
The IUPAC name of N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide (CID 54040888) is N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide is C=CC(=O)Nc1ccc(C)[nH]c1=O.
What is the InChIKey of N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide?
The InChIKey is LMGGLZNKABEUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-8(12)11-7-5-4-6(2)10-9(7)13/h3-5H,1H2,2H3,(H,10,13)(H,11,12).
What are the key properties of N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide?
N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide has a molecular weight of 178.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-oxo-1H-pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 54040888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).