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

C12H19N3O — CID 115597344

IUPAC2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide
SMILESCC(C)(C)CCNC(=O)c1cccnc1N
InChIInChI=1S/C12H19N3O/c1-12(2,3)6-8-15-11(16)9-5-4-7-14-10(9)13/h4-5,7H,6,8H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyBWXYDPMPUFDQHH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds3

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

2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide (PubChem CID 115597344) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide
PubChem CID115597344
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide
SMILESCC(C)(C)CCNC(=O)c1cccnc1N
InChIInChI=1S/C12H19N3O/c1-12(2,3)6-8-15-11(16)9-5-4-7-14-10(9)13/h4-5,7H,6,8H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyBWXYDPMPUFDQHH-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2-amino-N-(2-methylbutyl)pyridine-3-carboxamide
CID 62692946
2-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79357733
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579
2-amino-N'-methylpyridine-3-carbohydrazide
CID 86158893
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-N',N'-dimethylpyridine-3-carbohydrazide
CID 83024659

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide (CID 115597344) is 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide is CC(C)(C)CCNC(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide?
The InChIKey is BWXYDPMPUFDQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)6-8-15-11(16)9-5-4-7-14-10(9)13/h4-5,7H,6,8H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide?
2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 115597344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).