6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide

C20H27N3O — CID 109157548

IUPAC6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCC(C)C)cn1
InChIInChI=1S/C20H27N3O/c1-4-23(15-17-8-6-5-7-9-17)19-11-10-18(14-22-19)20(24)21-13-12-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,21,24)
InChIKeyLGMQTSMUBVWWPI-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.88
Rot. Bonds8

About 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide

6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 109157548) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID109157548
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCC(C)C)cn1
InChIInChI=1S/C20H27N3O/c1-4-23(15-17-8-6-5-7-9-17)19-11-10-18(14-22-19)20(24)21-13-12-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,21,24)
InChIKeyLGMQTSMUBVWWPI-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109171578
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
6-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109157535
6-[benzyl(ethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109157538
6-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)pyridine-3-carboxamide
CID 111471680
6-[benzyl(ethyl)amino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153623
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide (CID 109157548) is 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide is CCN(Cc1ccccc1)c1ccc(C(=O)NCCC(C)C)cn1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is LGMQTSMUBVWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-23(15-17-8-6-5-7-9-17)19-11-10-18(14-22-19)20(24)21-13-12-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,21,24).
What are the key properties of 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide?
6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 109157548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).