4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide

C18H18Cl2N2O — CID 22153049

IUPAC4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide
SMILESC=CCc1c(C)nc(C)c(C(=O)Nc2cccc(Cl)c2C)c1Cl
InChIInChI=1S/C18H18Cl2N2O/c1-5-7-13-11(3)21-12(4)16(17(13)20)18(23)22-15-9-6-8-14(19)10(15)2/h5-6,8-9H,1,7H2,2-4H3,(H,22,23)
InChIKeySEKJRXQMOWQWJS-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.29
Rot. Bonds4

About 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide

4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide (PubChem CID 22153049) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide
PubChem CID22153049
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide
SMILESC=CCc1c(C)nc(C)c(C(=O)Nc2cccc(Cl)c2C)c1Cl
InChIInChI=1S/C18H18Cl2N2O/c1-5-7-13-11(3)21-12(4)16(17(13)20)18(23)22-15-9-6-8-14(19)10(15)2/h5-6,8-9H,1,7H2,2-4H3,(H,22,23)
InChIKeySEKJRXQMOWQWJS-UHFFFAOYSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404
N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562324
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide (CID 22153049) is 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide is C=CCc1c(C)nc(C)c(C(=O)Nc2cccc(Cl)c2C)c1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide?
The InChIKey is SEKJRXQMOWQWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-5-7-13-11(3)21-12(4)16(17(13)20)18(23)22-15-9-6-8-14(19)10(15)2/h5-6,8-9H,1,7H2,2-4H3,(H,22,23).
What are the key properties of 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide?
4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide has a molecular weight of 349.26 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2-methylphenyl)-2,6-dimethyl-5-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 22153049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).