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

C20H27N3O2 — CID 109236720

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(NCCC(C)C)c2)c1
InChIInChI=1S/C20H27N3O2/c1-15(2)7-9-22-18-12-17(13-21-14-18)20(24)23-10-8-16-5-4-6-19(11-16)25-3/h4-6,11-15,22H,7-10H2,1-3H3,(H,23,24)
InChIKeyQKXXTTZAUAYNBW-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.52
Rot. Bonds9

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

N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109236720) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109236720
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(NCCC(C)C)c2)c1
InChIInChI=1S/C20H27N3O2/c1-15(2)7-9-22-18-12-17(13-21-14-18)20(24)23-10-8-16-5-4-6-19(11-16)25-3/h4-6,11-15,22H,7-10H2,1-3H3,(H,23,24)
InChIKeyQKXXTTZAUAYNBW-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)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

5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109236721
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228038
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235637
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232100
N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784
5-N-tert-butyl-3-N-[2-(3-methoxyphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106409
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
N-(3-acetylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236828
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide (CID 109236720) is N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide is COc1cccc(CCNC(=O)c2cncc(NCCC(C)C)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is QKXXTTZAUAYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)7-9-22-18-12-17(13-21-14-18)20(24)23-10-8-16-5-4-6-19(11-16)25-3/h4-6,11-15,22H,7-10H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109236720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).