6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide

C12H19N3O2 — CID 103705247

IUPAC6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
SMILESCC(C)(CCO)CNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,5-6-16)8-15-10-4-3-9(7-14-10)11(13)17/h3-4,7,16H,5-6,8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyUBROBWPDXYUPAJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.00
Rot. Bonds6

About 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide

6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide (PubChem CID 103705247) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
PubChem CID103705247
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
SMILESCC(C)(CCO)CNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,5-6-16)8-15-10-4-3-9(7-14-10)11(13)17/h3-4,7,16H,5-6,8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyUBROBWPDXYUPAJ-UHFFFAOYSA-N
XLogP1.00
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
6-hydrazinyl-N-(6-hydroxy-2,2-dimethylhexyl)pyridine-3-carboxamide
CID 91459914
6-(2-ethylhydrazinyl)pyridine-3-carboxamide
CID 125451625
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide (CID 103705247) is 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide is CC(C)(CCO)CNc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide?
The InChIKey is UBROBWPDXYUPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,5-6-16)8-15-10-4-3-9(7-14-10)11(13)17/h3-4,7,16H,5-6,8H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide?
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 103705247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).