5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C21H21N3O2 — CID 109236857

IUPAC5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-9-7-16(8-10-20)11-12-23-21(25)17-13-19(15-22-14-17)24-18-5-3-2-4-6-18/h2-10,13-15,24H,11-12H2,1H3,(H,23,25)
InChIKeyNJTOCPXIKZNIJQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.81
Rot. Bonds7

About 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109236857) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID109236857
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-9-7-16(8-10-20)11-12-23-21(25)17-13-19(15-22-14-17)24-18-5-3-2-4-6-18/h2-10,13-15,24H,11-12H2,1H3,(H,23,25)
InChIKeyNJTOCPXIKZNIJQ-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-anilino-N-[2-(4-methoxyphenyl)ethyl]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-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235844
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109231482
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471
methyl 4-[[5-(3-phenylpropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109239067
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 109236857) is 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cncc(Nc3ccccc3)c2)cc1.
What is the InChIKey of 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is NJTOCPXIKZNIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-20-9-7-16(8-10-20)11-12-23-21(25)17-13-19(15-22-14-17)24-18-5-3-2-4-6-18/h2-10,13-15,24H,11-12H2,1H3,(H,23,25).
What are the key properties of 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109236857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).