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

C21H20ClN3O2 — CID 109243447

IUPAC5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-3-14-4-6-16(7-5-14)25-21(26)15-10-18(13-23-12-15)24-17-8-9-20(27-2)19(22)11-17/h4-13,24H,3H2,1-2H3,(H,25,26)
InChIKeyHOGPROJCVAVYCN-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.30
Rot. Bonds6

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

5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109243447) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
PubChem CID109243447
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-3-14-4-6-16(7-5-14)25-21(26)15-10-18(13-23-12-15)24-17-8-9-20(27-2)19(22)11-17/h4-13,24H,3H2,1-2H3,(H,25,26)
InChIKeyHOGPROJCVAVYCN-UHFFFAOYSA-N
XLogP5.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243459
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (CID 109243447) is 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is HOGPROJCVAVYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-3-14-4-6-16(7-5-14)25-21(26)15-10-18(13-23-12-15)24-17-8-9-20(27-2)19(22)11-17/h4-13,24H,3H2,1-2H3,(H,25,26).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).