N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C16H16N2O2 — CID 1486109

IUPACN-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(C)cc2)c1=O
InChIInChI=1S/C16H16N2O2/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-13-8-6-12(2)7-9-13/h3-9,11H,1,10H2,2H3,(H,17,19)
InChIKeyGHHGMTXOHMQSHV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.60
Rot. Bonds4

About N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486109) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486109
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(C)cc2)c1=O
InChIInChI=1S/C16H16N2O2/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-13-8-6-12(2)7-9-13/h3-9,11H,1,10H2,2H3,(H,17,19)
InChIKeyGHHGMTXOHMQSHV-UHFFFAOYSA-N
XLogP2.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486109) is N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(C)cc2)c1=O.
What is the InChIKey of N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is GHHGMTXOHMQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-13-8-6-12(2)7-9-13/h3-9,11H,1,10H2,2H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).