N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide

C22H23N3O2 — CID 109198703

IUPACN-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(2)16-4-6-17(7-5-16)24-19-10-13-21(23-14-19)22(26)25-18-8-11-20(27-3)12-9-18/h4-15,24H,1-3H3,(H,25,26)
InChIKeyZAIPGJGFFMVQIY-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.21
Rot. Bonds6

About N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide

N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109198703) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109198703
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(2)16-4-6-17(7-5-16)24-19-10-13-21(23-14-19)22(26)25-18-8-11-20(27-3)12-9-18/h4-15,24H,1-3H3,(H,25,26)
InChIKeyZAIPGJGFFMVQIY-UHFFFAOYSA-N
XLogP5.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109198682
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183921
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-cyclopentyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109182280

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide (CID 109198703) is N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(C(C)C)cc3)cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is ZAIPGJGFFMVQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)16-4-6-17(7-5-16)24-19-10-13-21(23-14-19)22(26)25-18-8-11-20(27-3)12-9-18/h4-15,24H,1-3H3,(H,25,26).
What are the key properties of N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide?
N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).