3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide

C15H16N2O2 — CID 82829166

IUPAC3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCc1c(O)cccc1C(=O)NCCc1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11-13(3-2-4-14(11)18)15(19)17-10-7-12-5-8-16-9-6-12/h2-6,8-9,18H,7,10H2,1H3,(H,17,19)
InChIKeySXGHCYHHNPSWQE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.07
Rot. Bonds4

About 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide

3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 82829166) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID82829166
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCc1c(O)cccc1C(=O)NCCc1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11-13(3-2-4-14(11)18)15(19)17-10-7-12-5-8-16-9-6-12/h2-6,8-9,18H,7,10H2,1H3,(H,17,19)
InChIKeySXGHCYHHNPSWQE-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60914586
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 82829166) is 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide is Cc1c(O)cccc1C(=O)NCCc1ccncc1.
What is the InChIKey of 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is SXGHCYHHNPSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-13(3-2-4-14(11)18)15(19)17-10-7-12-5-8-16-9-6-12/h2-6,8-9,18H,7,10H2,1H3,(H,17,19).
What are the key properties of 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide?
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 82829166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).