N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide

C14H23N3O — CID 62180109

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(2,3)4)17(6)13(18)11-8-7-9-16-12(11)15-5/h7-10H,1-6H3,(H,15,16)
InChIKeyGAYAWQVBWJSMNM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62180109) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
PubChem CID62180109
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(2,3)4)17(6)13(18)11-8-7-9-16-12(11)15-5/h7-10H,1-6H3,(H,15,16)
InChIKeyGAYAWQVBWJSMNM-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105385225
2-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168546
N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55009248
N-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62168547
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62174306
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115548666
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide (CID 62180109) is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is GAYAWQVBWJSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(14(2,3)4)17(6)13(18)11-8-7-9-16-12(11)15-5/h7-10H,1-6H3,(H,15,16).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62180109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).