1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide

C18H20N2O2 — CID 23850576

IUPAC1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1c(C)cc(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O2/c1-4-10-19-17(21)16-13(2)11-14(3)20(18(16)22)12-15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3,(H,19,21)
InChIKeyPKXPONZWYBJTKF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.43
Rot. Bonds5

About 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide

1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 23850576) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide
PubChem CID23850576
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1c(C)cc(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O2/c1-4-10-19-17(21)16-13(2)11-14(3)20(18(16)22)12-15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3,(H,19,21)
InChIKeyPKXPONZWYBJTKF-UHFFFAOYSA-N
XLogP2.43
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 23855308
N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77096387
ethyl 1-benzyl-3,5-dimethyl-4-(prop-2-enylcarbamoyl)pyrrole-2-carboxylate
CID 20879138
1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate
CID 7347203
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
CID 25377422
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 7620412
1-benzyl-3,5-dimethylpyrrole-2-carbaldehyde
CID 20620924
1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 14252502
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide
CID 14277848

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide (CID 23850576) is 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1c(C)cc(C)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is PKXPONZWYBJTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-10-19-17(21)16-13(2)11-14(3)20(18(16)22)12-15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3,(H,19,21).
What are the key properties of 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 23850576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).