N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide

C13H20N2O2 — CID 61247488

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CO)CC(C)C)cn1
InChIInChI=1S/C13H20N2O2/c1-9(2)6-12(8-16)15-13(17)11-5-4-10(3)14-7-11/h4-5,7,9,12,16H,6,8H2,1-3H3,(H,15,17)
InChIKeyFNGKVLDFYDGJKF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 61247488) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID61247488
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CO)CC(C)C)cn1
InChIInChI=1S/C13H20N2O2/c1-9(2)6-12(8-16)15-13(17)11-5-4-10(3)14-7-11/h4-5,7,9,12,16H,6,8H2,1-3H3,(H,15,17)
InChIKeyFNGKVLDFYDGJKF-UHFFFAOYSA-N
XLogP1.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide (CID 61247488) is N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(CO)CC(C)C)cn1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is FNGKVLDFYDGJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)6-12(8-16)15-13(17)11-5-4-10(3)14-7-11/h4-5,7,9,12,16H,6,8H2,1-3H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 61247488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).