N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide

C16H26N2O3 — CID 110000209

IUPACN-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
SMILESCC(C)(C)Oc1ccc(C(=O)NCC(O)C(C)(C)C)cn1
InChIInChI=1S/C16H26N2O3/c1-15(2,3)12(19)10-18-14(20)11-7-8-13(17-9-11)21-16(4,5)6/h7-9,12,19H,10H2,1-6H3,(H,18,20)
InChIKeyCIXVKPOZLDBMEH-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.40
Rot. Bonds4

About N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide

N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide (PubChem CID 110000209) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
PubChem CID110000209
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
SMILESCC(C)(C)Oc1ccc(C(=O)NCC(O)C(C)(C)C)cn1
InChIInChI=1S/C16H26N2O3/c1-15(2,3)12(19)10-18-14(20)11-7-8-13(17-9-11)21-16(4,5)6/h7-9,12,19H,10H2,1-6H3,(H,18,20)
InChIKeyCIXVKPOZLDBMEH-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypentyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 110000216
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 86783842
3-hydroxy-N-(2-hydroxy-3,3-dimethylbutyl)-4-methylbenzamide
CID 110016294
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120831593
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide (CID 110000209) is N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide is CC(C)(C)Oc1ccc(C(=O)NCC(O)C(C)(C)C)cn1.
What is the InChIKey of N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide?
The InChIKey is CIXVKPOZLDBMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-15(2,3)12(19)10-18-14(20)11-7-8-13(17-9-11)21-16(4,5)6/h7-9,12,19H,10H2,1-6H3,(H,18,20).
What are the key properties of N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide?
N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 110000209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).