N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide

C20H18ClN3O2 — CID 109176255

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3cccc(C)c3)c2)cc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-13-4-3-5-15(10-13)23-19-11-14(8-9-22-19)20(25)24-16-6-7-18(26-2)17(21)12-16/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyTZHMYRNTHZPBMB-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.05
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide (PubChem CID 109176255) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
PubChem CID109176255
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3cccc(C)c3)c2)cc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-13-4-3-5-15(10-13)23-19-11-14(8-9-22-19)20(25)24-16-6-7-18(26-2)17(21)12-16/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyTZHMYRNTHZPBMB-UHFFFAOYSA-N
XLogP5.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 109177809
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide (CID 109176255) is N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Nc3cccc(C)c3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The InChIKey is TZHMYRNTHZPBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-4-3-5-15(10-13)23-19-11-14(8-9-22-19)20(25)24-16-6-7-18(26-2)17(21)12-16/h3-12H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).