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

C22H23N3O2 — CID 109176595

IUPAC2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-19-8-6-18(7-9-19)24-22(26)17-11-12-23-21(14-17)25-20-10-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyMNJFYKODNXRTSX-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.09
Rot. Bonds6

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

2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109176595) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
PubChem CID109176595
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-19-8-6-18(7-9-19)24-22(26)17-11-12-23-21(14-17)25-20-10-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyMNJFYKODNXRTSX-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-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219771
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176615
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174915
6-(4-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109358423
N-(2,4-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356805
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109091767
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176614
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide (CID 109176595) is 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(Nc3ccc(C)cc3C)c2)cc1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is MNJFYKODNXRTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-27-19-8-6-18(7-9-19)24-22(26)17-11-12-23-21(14-17)25-20-10-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-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 2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).