N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide

C12H18N2O2 — CID 103461999

IUPACN-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)8-14-11(16)10-9(15)6-5-7-13-10/h5-7,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyBOJDOSGPMGOQFV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.95
Rot. Bonds4

About N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide

N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide (PubChem CID 103461999) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
PubChem CID103461999
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)8-14-11(16)10-9(15)6-5-7-13-10/h5-7,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyBOJDOSGPMGOQFV-UHFFFAOYSA-N
XLogP1.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
3-hydroxypyridine-2-carbohydrazide
CID 45083058
3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
3-hydroxy-N-(1-hydroxy-2-methylpentan-2-yl)pyridine-2-carboxamide
CID 86802049
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide (CID 103461999) is N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide is CCC(C)(C)CNC(=O)c1ncccc1O.
What is the InChIKey of N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide?
The InChIKey is BOJDOSGPMGOQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-12(2,3)8-14-11(16)10-9(15)6-5-7-13-10/h5-7,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide?
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 103461999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).