N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide

C20H27N3O2 — CID 109158989

IUPACN-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCCc2ccc(OC)cc2)nc1
InChIInChI=1S/C20H27N3O2/c1-4-5-14-23(2)20(24)17-8-11-19(22-15-17)21-13-12-16-6-9-18(25-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3,(H,21,22)
InChIKeyUJSHMLXTKNGUDJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.62
Rot. Bonds9

About N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide

N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide (PubChem CID 109158989) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
PubChem CID109158989
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCCc2ccc(OC)cc2)nc1
InChIInChI=1S/C20H27N3O2/c1-4-5-14-23(2)20(24)17-8-11-19(22-15-17)21-13-12-16-6-9-18(25-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3,(H,21,22)
InChIKeyUJSHMLXTKNGUDJ-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
CID 109260523
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
6-(ethylamino)-N-(3-methoxypropyl)-N-methylpyridine-3-carboxamide
CID 63009314
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
N-[3-(dimethylamino)propyl]-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 55226022

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide (CID 109158989) is N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(NCCc2ccc(OC)cc2)nc1.
What is the InChIKey of N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is UJSHMLXTKNGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-5-14-23(2)20(24)17-8-11-19(22-15-17)21-13-12-16-6-9-18(25-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3,(H,21,22).
What are the key properties of N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109158989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).