5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

C22H23N3O2 — CID 109198726

IUPAC5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-14-10-15(2)21(16(3)11-14)25-22(26)20-9-8-18(13-23-20)24-17-6-5-7-19(12-17)27-4/h5-13,24H,1-4H3,(H,25,26)
InChIKeyWBAMLFMJRSXKBV-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.01
Rot. Bonds5

About 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (PubChem CID 109198726) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
PubChem CID109198726
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-14-10-15(2)21(16(3)11-14)25-22(26)20-9-8-18(13-23-20)24-17-6-5-7-19(12-17)27-4/h5-13,24H,1-4H3,(H,25,26)
InChIKeyWBAMLFMJRSXKBV-UHFFFAOYSA-N
XLogP5.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetylanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198731
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
N-(3-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109199818
N-(2-ethyl-6-methylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198585

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (CID 109198726) is 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is COc1cccc(Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)nc2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The InChIKey is WBAMLFMJRSXKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-10-15(2)21(16(3)11-14)25-22(26)20-9-8-18(13-23-20)24-17-6-5-7-19(12-17)27-4/h5-13,24H,1-4H3,(H,25,26).
What are the key properties of 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109198726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).