N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide

C18H22N2O2 — CID 109399496

IUPACN-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide
SMILESCCCC(O)CNC(=O)c1cccc(-c2ccccn2)c1C
InChIInChI=1S/C18H22N2O2/c1-3-7-14(21)12-20-18(22)16-9-6-8-15(13(16)2)17-10-4-5-11-19-17/h4-6,8-11,14,21H,3,7,12H2,1-2H3,(H,20,22)
InChIKeySFEPHARAXVXDSS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.95
Rot. Bonds6

About N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide

N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide (PubChem CID 109399496) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide
PubChem CID109399496
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide
SMILESCCCC(O)CNC(=O)c1cccc(-c2ccccn2)c1C
InChIInChI=1S/C18H22N2O2/c1-3-7-14(21)12-20-18(22)16-9-6-8-15(13(16)2)17-10-4-5-11-19-17/h4-6,8-11,14,21H,3,7,12H2,1-2H3,(H,20,22)
InChIKeySFEPHARAXVXDSS-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399313
N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 109399422
2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid
CID 120527980
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
CID 115700538
N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 136521765
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 97242872
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
N-(3-cyanothiolan-3-yl)-2-methyl-3-pyridin-2-ylbenzamide
CID 75389234
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide?
The IUPAC name of N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide (CID 109399496) is N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide?
The canonical SMILES for N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide is CCCC(O)CNC(=O)c1cccc(-c2ccccn2)c1C.
What is the InChIKey of N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide?
The InChIKey is SFEPHARAXVXDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-7-14(21)12-20-18(22)16-9-6-8-15(13(16)2)17-10-4-5-11-19-17/h4-6,8-11,14,21H,3,7,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide?
N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 109399496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).