1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide

C16H14Cl2N2O2 — CID 3564299

IUPAC1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-2-8-19-16(22)11-6-7-15(21)20(9-11)10-12-13(17)4-3-5-14(12)18/h2-7,9H,1,8,10H2,(H,19,22)
InChIKeyGVZJSFPSSOBTQN-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.12
Rot. Bonds5

About 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 3564299) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide
PubChem CID3564299
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-2-8-19-16(22)11-6-7-15(21)20(9-11)10-12-13(17)4-3-5-14(12)18/h2-7,9H,1,8,10H2,(H,19,22)
InChIKeyGVZJSFPSSOBTQN-UHFFFAOYSA-N
XLogP3.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.12
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

N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582644
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide
CID 26843899
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2,6-dichlorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923614
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671332
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide (CID 3564299) is 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is GVZJSFPSSOBTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-2-8-19-16(22)11-6-7-15(21)20(9-11)10-12-13(17)4-3-5-14(12)18/h2-7,9H,1,8,10H2,(H,19,22).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 3564299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).