4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide

C23H20Cl2N2O4 — CID 166822311

IUPAC4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc(Cl)cc(Cl)n2)C(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C23H20Cl2N2O4/c1-14-6-4-5-7-18(14)22(28)27(23(29)19-10-16(24)11-21(25)26-19)13-15-8-9-17(30-2)12-20(15)31-3/h4-12H,13H2,1-3H3
InChIKeyAZXJUILCBDKKGS-UHFFFAOYSA-N
MW459.33 g/mol
LogP5.20
Rot. Bonds6

About 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide

4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide (PubChem CID 166822311) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide
PubChem CID166822311
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC Name4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc(Cl)cc(Cl)n2)C(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C23H20Cl2N2O4/c1-14-6-4-5-7-18(14)22(28)27(23(29)19-10-16(24)11-21(25)26-19)13-15-8-9-17(30-2)12-20(15)31-3/h4-12H,13H2,1-3H3
InChIKeyAZXJUILCBDKKGS-UHFFFAOYSA-N
XLogP5.20
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.33
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 3229697
N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 20760414
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790465
4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-chloro-2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166822287
N-[(2,4-dimethoxyphenyl)methyl]-N-methylquinolin-2-amine
CID 175769838
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide
CID 33032868
2-[2-chloro-N-[(2,4-dimethoxyphenyl)methyl]anilino]acetic acid
CID 69368554

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide (CID 166822311) is 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide is COc1ccc(CN(C(=O)c2cc(Cl)cc(Cl)n2)C(=O)c2ccccc2C)c(OC)c1.
What is the InChIKey of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide?
The InChIKey is AZXJUILCBDKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-14-6-4-5-7-18(14)22(28)27(23(29)19-10-16(24)11-21(25)26-19)13-15-8-9-17(30-2)12-20(15)31-3/h4-12H,13H2,1-3H3.
What are the key properties of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide?
4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide has a molecular weight of 459.33 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide is sourced from PubChem (CID 166822311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).