4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide

C19H25N3O — CID 109211042

IUPAC4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-4-5-13-21(2)19(23)18-14-17(11-12-20-18)22(3)15-16-9-7-6-8-10-16/h6-12,14H,4-5,13,15H2,1-3H3
InChIKeyGZGVGAIGZXBQGS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.59
Rot. Bonds7

About 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide

4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide (PubChem CID 109211042) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
PubChem CID109211042
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-4-5-13-21(2)19(23)18-14-17(11-12-20-18)22(3)15-16-9-7-6-8-10-16/h6-12,14H,4-5,13,15H2,1-3H3
InChIKeyGZGVGAIGZXBQGS-UHFFFAOYSA-N
XLogP3.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
CID 60793876
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336
2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide (CID 109211042) is 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(N(C)Cc2ccccc2)ccn1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide?
The InChIKey is GZGVGAIGZXBQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-5-13-21(2)19(23)18-14-17(11-12-20-18)22(3)15-16-9-7-6-8-10-16/h6-12,14H,4-5,13,15H2,1-3H3.
What are the key properties of 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide?
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109211042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).