6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C21H22N4O2 — CID 109158114

IUPAC6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)NCc3ccncc3)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-19-5-2-16(3-6-19)10-13-23-20-7-4-18(15-24-20)21(26)25-14-17-8-11-22-12-9-17/h2-9,11-12,15H,10,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyIUNWVSUBYQRYQE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.07
Rot. Bonds8

About 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109158114) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109158114
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)NCc3ccncc3)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-19-5-2-16(3-6-19)10-13-23-20-7-4-18(15-24-20)21(26)25-14-17-8-11-22-12-9-17/h2-9,11-12,15H,10,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyIUNWVSUBYQRYQE-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)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

6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
6-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109152703
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155812
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109158114) is 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is COc1ccc(CCNc2ccc(C(=O)NCc3ccncc3)cn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IUNWVSUBYQRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-19-5-2-16(3-6-19)10-13-23-20-7-4-18(15-24-20)21(26)25-14-17-8-11-22-12-9-17/h2-9,11-12,15H,10,13-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109158114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).