N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide

C14H22N2O3 — CID 103940867

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11(7-9-17)16-12(18)10-6-5-8-15-13(10)19-4/h5-6,8,11,17H,7,9H2,1-4H3,(H,16,18)
InChIKeyWSBLPNHOHFKLIY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.62
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 103940867) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
PubChem CID103940867
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11(7-9-17)16-12(18)10-6-5-8-15-13(10)19-4/h5-6,8,11,17H,7,9H2,1-4H3,(H,16,18)
InChIKeyWSBLPNHOHFKLIY-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 138057760
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2-methoxypyridine-3-carboxamide
CID 97235405
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2-methoxy-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82724055
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415816
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide (CID 103940867) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is WSBLPNHOHFKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)11(7-9-17)16-12(18)10-6-5-8-15-13(10)19-4/h5-6,8,11,17H,7,9H2,1-4H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 103940867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).