6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C21H20ClN3O2 — CID 109157181

IUPAC6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C21H20ClN3O2/c1-14-11-17(22)8-9-18(14)25-20-10-7-16(13-23-20)21(26)24-12-15-5-3-4-6-19(15)27-2/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVLNREOCDZIOLPH-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds6

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

6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109157181) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109157181
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C21H20ClN3O2/c1-14-11-17(22)8-9-18(14)25-20-10-7-16(13-23-20)21(26)24-12-15-5-3-4-6-19(15)27-2/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVLNREOCDZIOLPH-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

methyl 2-[[5-[(2-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109157201
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157211
6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157157
6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156064
6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158583
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
N-(4-chloro-2-methylphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190315

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109157181) is 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2ccc(Cl)cc2C)nc1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VLNREOCDZIOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-11-17(22)8-9-18(14)25-20-10-7-16(13-23-20)21(26)24-12-15-5-3-4-6-19(15)27-2/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)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-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109157181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).