2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide

C21H20ClN3O2 — CID 109171227

IUPAC2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(Nc3cc(Cl)ccc3C)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-14-3-6-17(22)12-19(14)25-20-11-16(9-10-23-20)21(26)24-13-15-4-7-18(27-2)8-5-15/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGXSOQMXVSMLCCS-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds6

About 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide

2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109171227) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID109171227
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(Nc3cc(Cl)ccc3C)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-14-3-6-17(22)12-19(14)25-20-11-16(9-10-23-20)21(26)24-13-15-4-7-18(27-2)8-5-15/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGXSOQMXVSMLCCS-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-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329355
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109173888
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282443
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164
2-[(4-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169599

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide (CID 109171227) is 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide is COc1ccc(CNC(=O)c2ccnc(Nc3cc(Cl)ccc3C)c2)cc1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is GXSOQMXVSMLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-3-6-17(22)12-19(14)25-20-11-16(9-10-23-20)21(26)24-13-15-4-7-18(27-2)8-5-15/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-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 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109171227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).