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

C20H27N3O2 — CID 109158752

IUPACN-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCCc2ccccc2OC)nc1
InChIInChI=1S/C20H27N3O2/c1-4-5-14-23(2)20(24)17-10-11-19(22-15-17)21-13-12-16-8-6-7-9-18(16)25-3/h6-11,15H,4-5,12-14H2,1-3H3,(H,21,22)
InChIKeyKTZHMNKQWCLTFH-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.62
Rot. Bonds9

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

N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide (PubChem CID 109158752) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
PubChem CID109158752
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCCc2ccccc2OC)nc1
InChIInChI=1S/C20H27N3O2/c1-4-5-14-23(2)20(24)17-10-11-19(22-15-17)21-13-12-16-8-6-7-9-18(16)25-3/h6-11,15H,4-5,12-14H2,1-3H3,(H,21,22)
InChIKeyKTZHMNKQWCLTFH-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 ≤ 500341.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158989
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170
N-benzyl-N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109157599
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
N-[3-(dimethylamino)propyl]-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 55226022
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide (CID 109158752) is N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(NCCc2ccccc2OC)nc1.
What is the InChIKey of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is KTZHMNKQWCLTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-5-14-23(2)20(24)17-10-11-19(22-15-17)21-13-12-16-8-6-7-9-18(16)25-3/h6-11,15H,4-5,12-14H2,1-3H3,(H,21,22).
What are the key properties of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide?
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 341.45 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-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109158752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).