N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide

C20H18ClN3O2 — CID 109244574

IUPACN-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1cncc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O2/c1-13-3-8-19(26-2)18(9-13)23-17-10-14(11-22-12-17)20(25)24-16-6-4-15(21)5-7-16/h3-12,23H,1-2H3,(H,24,25)
InChIKeyJHFMHXUHBFUAFS-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.05
Rot. Bonds5

About N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide

N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide (PubChem CID 109244574) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
PubChem CID109244574
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1cncc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O2/c1-13-3-8-19(26-2)18(9-13)23-17-10-14(11-22-12-17)20(25)24-16-6-4-15(21)5-7-16/h3-12,23H,1-2H3,(H,24,25)
InChIKeyJHFMHXUHBFUAFS-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

N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244246
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
N-(3-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245541
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
5-(5-chloro-2-methoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245070
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide (CID 109244574) is N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide is COc1ccc(C)cc1Nc1cncc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The InChIKey is JHFMHXUHBFUAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-3-8-19(26-2)18(9-13)23-17-10-14(11-22-12-17)20(25)24-16-6-4-15(21)5-7-16/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-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-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).