5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

C21H20ClN3O3 — CID 109245025

IUPAC5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-3-28-18-7-4-15(5-8-18)25-21(26)14-10-17(13-23-12-14)24-16-6-9-20(27-2)19(22)11-16/h4-13,24H,3H2,1-2H3,(H,25,26)
InChIKeyLDIPBZKQUGUQEO-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.14
Rot. Bonds7

About 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109245025) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109245025
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-3-28-18-7-4-15(5-8-18)25-21(26)14-10-17(13-23-12-14)24-16-6-9-20(27-2)19(22)11-16/h4-13,24H,3H2,1-2H3,(H,25,26)
InChIKeyLDIPBZKQUGUQEO-UHFFFAOYSA-N
XLogP5.14
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
N-(2,4-dimethoxyphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245476
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109244991
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 109245025) is 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is LDIPBZKQUGUQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-3-28-18-7-4-15(5-8-18)25-21(26)14-10-17(13-23-12-14)24-16-6-9-20(27-2)19(22)11-16/h4-13,24H,3H2,1-2H3,(H,25,26).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).