4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

C21H20ClN3O3 — CID 109221380

IUPAC4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(OC)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-3-28-17-7-4-14(5-8-17)25-21(26)19-13-16(10-11-23-19)24-15-6-9-20(27-2)18(22)12-15/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeySHHVKOHPGOYAPQ-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.14
Rot. Bonds7

About 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109221380) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109221380
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(OC)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-3-28-17-7-4-14(5-8-17)25-21(26)19-13-16(10-11-23-19)24-15-6-9-20(27-2)18(22)12-15/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeySHHVKOHPGOYAPQ-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

4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-(3,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219903
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
N-(2-chlorophenyl)-4-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109220864
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210465
4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219771

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 109221380) is 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cc(Nc3ccc(OC)c(Cl)c3)ccn2)cc1.
What is the InChIKey of 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is SHHVKOHPGOYAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-3-28-17-7-4-14(5-8-17)25-21(26)19-13-16(10-11-23-19)24-15-6-9-20(27-2)18(22)12-15/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-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 4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).