2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide

C22H23N3O4 — CID 109178168

IUPAC2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-4-29-18-8-5-16(6-9-18)25-22(26)15-11-12-23-21(13-15)24-17-7-10-19(27-2)20(14-17)28-3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyBNRUEYASPWZDRV-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.49
Rot. Bonds8

About 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide

2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109178168) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
PubChem CID109178168
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-4-29-18-8-5-16(6-9-18)25-22(26)15-11-12-23-21(13-15)24-17-7-10-19(27-2)20(14-17)28-3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyBNRUEYASPWZDRV-UHFFFAOYSA-N
XLogP4.49
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
2-(3-ethylanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283332
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109176595
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide (CID 109178168) is 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(Nc3ccc(OC)c(OC)c3)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is BNRUEYASPWZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-29-18-8-5-16(6-9-18)25-22(26)15-11-12-23-21(13-15)24-17-7-10-19(27-2)20(14-17)28-3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).