N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide

C18H22N2O2 — CID 126834520

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide
SMILESCC(C)C(CCO)NC(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C18H22N2O2/c1-13(2)17(9-12-21)20-18(22)16-6-4-3-5-15(16)14-7-10-19-11-8-14/h3-8,10-11,13,17,21H,9,12H2,1-2H3,(H,20,22)
InChIKeyIWXLUFYKFNGPNW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide (PubChem CID 126834520) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide
PubChem CID126834520
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide
SMILESCC(C)C(CCO)NC(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C18H22N2O2/c1-13(2)17(9-12-21)20-18(22)16-6-4-3-5-15(16)14-7-10-19-11-8-14/h3-8,10-11,13,17,21H,9,12H2,1-2H3,(H,20,22)
InChIKeyIWXLUFYKFNGPNW-UHFFFAOYSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
CID 68724562
N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide
CID 154851586
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
N-(1-hydroxy-4-methylpentan-3-yl)-3-methyl-2-nitrobenzamide
CID 103750772
2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
CID 103782372
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2-nitrobenzamide
CID 103782440
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
CID 123619493
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide (CID 126834520) is N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide is CC(C)C(CCO)NC(=O)c1ccccc1-c1ccncc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide?
The InChIKey is IWXLUFYKFNGPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)17(9-12-21)20-18(22)16-6-4-3-5-15(16)14-7-10-19-11-8-14/h3-8,10-11,13,17,21H,9,12H2,1-2H3,(H,20,22).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.89, 6 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-3-yl)-2-pyridin-4-ylbenzamide is sourced from PubChem (CID 126834520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).