6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide

C12H19N3O — CID 103464702

IUPAC6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ccc(N)nc1
InChIInChI=1S/C12H19N3O/c1-4-12(2,3)8-15-11(16)9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyYNTKPOFIUMNHDV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds4

About 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide

6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (PubChem CID 103464702) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
PubChem CID103464702
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ccc(N)nc1
InChIInChI=1S/C12H19N3O/c1-4-12(2,3)8-15-11(16)9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyYNTKPOFIUMNHDV-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103461110
6-amino-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 114944068
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
6-amino-N-[3-(ethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113411051
6-amino-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 63962079
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
CID 89088351
4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
CID 103464640
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464710

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (CID 103464702) is 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is CCC(C)(C)CNC(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The InChIKey is YNTKPOFIUMNHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-12(2,3)8-15-11(16)9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 103464702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).