6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide

C17H28N2O — CID 78848576

IUPAC6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C17H28N2O/c1-13(2)9-11-19(12-10-14(3)4)17(20)16-8-6-7-15(5)18-16/h6-8,13-14H,9-12H2,1-5H3
InChIKeyVMNJPJVIZLJXEU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.92
Rot. Bonds7

About 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide

6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 78848576) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
PubChem CID78848576
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C17H28N2O/c1-13(2)9-11-19(12-10-14(3)4)17(20)16-8-6-7-15(5)18-16/h6-8,13-14H,9-12H2,1-5H3
InChIKeyVMNJPJVIZLJXEU-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide
CID 43136568
N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
CID 63390828
N-[2-(dimethylamino)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 110483041
N-(1-aminopropan-2-yl)-N,6-dimethylpyridine-2-carboxamide
CID 82507394
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-(2-aminoethyl)-N,6-dimethylpyridine-2-carboxamide
CID 61348528
6-amino-N,N-bis(2-methylpropyl)pyridine-2-carboxamide;hydrochloride
CID 119998863
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579
2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258133
N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107358851

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide (CID 78848576) is 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide is Cc1cccc(C(=O)N(CCC(C)C)CCC(C)C)n1.
What is the InChIKey of 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is VMNJPJVIZLJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)9-11-19(12-10-14(3)4)17(20)16-8-6-7-15(5)18-16/h6-8,13-14H,9-12H2,1-5H3.
What are the key properties of 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 78848576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).