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

C12H19N3O — CID 103464710

IUPAC4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnccc1N
InChIInChI=1S/C12H19N3O/c1-4-12(2,3)8-15-11(16)9-7-14-6-5-10(9)13/h5-7H,4,8H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyVHAVEXLMCRLCGF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds4

About 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide

4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (PubChem CID 103464710) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
PubChem CID103464710
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnccc1N
InChIInChI=1S/C12H19N3O/c1-4-12(2,3)8-15-11(16)9-7-14-6-5-10(9)13/h5-7H,4,8H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyVHAVEXLMCRLCGF-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

N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381
2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide
CID 103464488
N-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464702
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (CID 103464710) is 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is CCC(C)(C)CNC(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The InChIKey is VHAVEXLMCRLCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-12(2,3)8-15-11(16)9-7-14-6-5-10(9)13/h5-7H,4,8H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
4-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 4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 103464710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).