N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide

C16H18N2O3 — CID 111477233

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cncc(C)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-7-13(9-17-8-11)16(20)18-10-15(19)12-3-5-14(21-2)6-4-12/h3-9,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyXHQORYIOORGAGZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.86
Rot. Bonds5

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide (PubChem CID 111477233) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
PubChem CID111477233
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cncc(C)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-7-13(9-17-8-11)16(20)18-10-15(19)12-3-5-14(21-2)6-4-12/h3-9,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyXHQORYIOORGAGZ-UHFFFAOYSA-N
XLogP1.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 94809037
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110900448
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
CID 114310132

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide (CID 111477233) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide is COc1ccc(C(O)CNC(=O)c2cncc(C)c2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide?
The InChIKey is XHQORYIOORGAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-7-13(9-17-8-11)16(20)18-10-15(19)12-3-5-14(21-2)6-4-12/h3-9,15,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 111477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).