5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C21H20ClN3O2 — CID 109235843

IUPAC5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H20ClN3O2/c1-27-20-8-7-17(22)12-19(20)25-18-11-16(13-23-14-18)21(26)24-10-9-15-5-3-2-4-6-15/h2-8,11-14,25H,9-10H2,1H3,(H,24,26)
InChIKeyRTIDPPZMNFCPPL-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.46
Rot. Bonds7

About 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109235843) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109235843
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H20ClN3O2/c1-27-20-8-7-17(22)12-19(20)25-18-11-16(13-23-14-18)21(26)24-10-9-15-5-3-2-4-6-15/h2-8,11-14,25H,9-10H2,1H3,(H,24,26)
InChIKeyRTIDPPZMNFCPPL-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238810
N-(5-chloro-2-methylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244720
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
5-(5-chloro-2-methoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245070
5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109235843) is 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is COc1ccc(Cl)cc1Nc1cncc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is RTIDPPZMNFCPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-20-8-7-17(22)12-19(20)25-18-11-16(13-23-14-18)21(26)24-10-9-15-5-3-2-4-6-15/h2-8,11-14,25H,9-10H2,1H3,(H,24,26).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).