5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C22H22ClN3O2 — CID 109234228

IUPAC5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C22H22ClN3O2/c1-14-8-15(2)21(19(23)9-14)26-18-10-17(11-24-13-18)22(27)25-12-16-6-4-5-7-20(16)28-3/h4-11,13,26H,12H2,1-3H3,(H,25,27)
InChIKeyQBVVGBSBIQRFOJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.03
Rot. Bonds6

About 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234228) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109234228
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C22H22ClN3O2/c1-14-8-15(2)21(19(23)9-14)26-18-10-17(11-24-13-18)22(27)25-12-16-6-4-5-7-20(16)28-3/h4-11,13,26H,12H2,1-3H3,(H,25,27)
InChIKeyQBVVGBSBIQRFOJ-UHFFFAOYSA-N
XLogP5.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-diethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234214
N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244973
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
N-(2-methoxyphenyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109243927
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109234228) is 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cncc(Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is QBVVGBSBIQRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14-8-15(2)21(19(23)9-14)26-18-10-17(11-24-13-18)22(27)25-12-16-6-4-5-7-20(16)28-3/h4-11,13,26H,12H2,1-3H3,(H,25,27).
What are the key properties of 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).