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

C16H15ClN2O2 — CID 1486112

IUPACN-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-3-8-19-9-4-5-13(16(19)21)15(20)18-12-7-6-11(2)14(17)10-12/h3-7,9-10H,1,8H2,2H3,(H,18,20)
InChIKeyOKCJXPRXFXNDSK-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.25
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486112) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486112
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-3-8-19-9-4-5-13(16(19)21)15(20)18-12-7-6-11(2)14(17)10-12/h3-7,9-10H,1,8H2,2H3,(H,18,20)
InChIKeyOKCJXPRXFXNDSK-UHFFFAOYSA-N
XLogP3.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.25
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-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486112) is N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1=O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is OKCJXPRXFXNDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-3-8-19-9-4-5-13(16(19)21)15(20)18-12-7-6-11(2)14(17)10-12/h3-7,9-10H,1,8H2,2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).