4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

C22H23N3O2 — CID 109219771

IUPAC4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(C)cc3C)ccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-19-8-6-17(7-9-19)25-22(26)21-14-18(11-12-23-21)24-20-10-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyYJQSZYYVQJHMPQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.09
Rot. Bonds6

About 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109219771) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109219771
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(C)cc3C)ccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-19-8-6-17(7-9-19)25-22(26)21-14-18(11-12-23-21)24-20-10-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyYJQSZYYVQJHMPQ-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219903
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109176595
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
N-(2,4-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356805
6-(4-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109358423
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
methyl 3-[[4-(2,4-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219781
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109091767

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 109219771) is 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cc(Nc3ccc(C)cc3C)ccn2)cc1.
What is the InChIKey of 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is YJQSZYYVQJHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-27-19-8-6-17(7-9-19)25-22(26)21-14-18(11-12-23-21)24-20-10-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).