6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C21H20ClN3O2 — CID 109156064

IUPAC6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NCc2ccc(C)cc2)cn1
InChIInChI=1S/C21H20ClN3O2/c1-14-3-5-15(6-4-14)12-24-21(26)16-7-10-20(23-13-16)25-18-11-17(22)8-9-19(18)27-2/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNGURJMGTPXABLU-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds6

About 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109156064) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109156064
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NCc2ccc(C)cc2)cn1
InChIInChI=1S/C21H20ClN3O2/c1-14-3-5-15(6-4-14)12-24-21(26)16-7-10-20(23-13-16)25-18-11-17(22)8-9-19(18)27-2/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNGURJMGTPXABLU-UHFFFAOYSA-N
XLogP4.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
6-(2-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159947
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158583
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 109156064) is 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is COc1ccc(Cl)cc1Nc1ccc(C(=O)NCc2ccc(C)cc2)cn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NGURJMGTPXABLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-3-5-15(6-4-14)12-24-21(26)16-7-10-20(23-13-16)25-18-11-17(22)8-9-19(18)27-2/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).