6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide

C21H29N3O — CID 109161088

IUPAC6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-5-6-14-23(4)21(25)19-12-13-20(22-15-19)24(17(2)3)16-18-10-8-7-9-11-18/h7-13,15,17H,5-6,14,16H2,1-4H3
InChIKeyHTKMUJVKIZERSF-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.37
Rot. Bonds8

About 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide

6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide (PubChem CID 109161088) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
PubChem CID109161088
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-5-6-14-23(4)21(25)19-12-13-20(22-15-19)24(17(2)3)16-18-10-8-7-9-11-18/h7-13,15,17H,5-6,14,16H2,1-4H3
InChIKeyHTKMUJVKIZERSF-UHFFFAOYSA-N
XLogP4.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120886727
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099313
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119346931
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide (CID 109161088) is 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(N(Cc2ccccc2)C(C)C)nc1.
What is the InChIKey of 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
The InChIKey is HTKMUJVKIZERSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-6-14-23(4)21(25)19-12-13-20(22-15-19)24(17(2)3)16-18-10-8-7-9-11-18/h7-13,15,17H,5-6,14,16H2,1-4H3.
What are the key properties of 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide?
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109161088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).