5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide

C20H27N3O — CID 109234838

IUPAC5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(N(CC)Cc2ccccc2)c1
InChIInChI=1S/C20H27N3O/c1-4-6-12-22(3)20(24)18-13-19(15-21-14-18)23(5-2)16-17-10-8-7-9-11-17/h7-11,13-15H,4-6,12,16H2,1-3H3
InChIKeyREFFDUHLWPOJBV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.98
Rot. Bonds8

About 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide

5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide (PubChem CID 109234838) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
PubChem CID109234838
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(N(CC)Cc2ccccc2)c1
InChIInChI=1S/C20H27N3O/c1-4-6-12-22(3)20(24)18-13-19(15-21-14-18)23(5-2)16-17-10-8-7-9-11-17/h7-11,13-15H,4-6,12,16H2,1-3H3
InChIKeyREFFDUHLWPOJBV-UHFFFAOYSA-N
XLogP3.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide (CID 109234838) is 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cncc(N(CC)Cc2ccccc2)c1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
The InChIKey is REFFDUHLWPOJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-6-12-22(3)20(24)18-13-19(15-21-14-18)23(5-2)16-17-10-8-7-9-11-17/h7-11,13-15H,4-6,12,16H2,1-3H3.
What are the key properties of 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109234838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).