2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide

C20H27N3O — CID 109171578

IUPAC2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)NCCC(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-4-23(15-17-8-6-5-7-9-17)19-14-18(11-13-21-19)20(24)22-12-10-16(2)3/h5-9,11,13-14,16H,4,10,12,15H2,1-3H3,(H,22,24)
InChIKeyONFRGCAUBBWASU-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.88
Rot. Bonds8

About 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide (PubChem CID 109171578) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
PubChem CID109171578
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)NCCC(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-4-23(15-17-8-6-5-7-9-17)19-14-18(11-13-21-19)20(24)22-12-10-16(2)3/h5-9,11,13-14,16H,4,10,12,15H2,1-3H3,(H,22,24)
InChIKeyONFRGCAUBBWASU-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

6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167699
2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593
2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109171613
2-(diethylamino)-N-pentylpyridine-4-carboxamide
CID 109174759
2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171589
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide (CID 109171578) is 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)NCCC(C)C)ccn1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The InChIKey is ONFRGCAUBBWASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-23(15-17-8-6-5-7-9-17)19-14-18(11-13-21-19)20(24)22-12-10-16(2)3/h5-9,11,13-14,16H,4,10,12,15H2,1-3H3,(H,22,24).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-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 2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).