N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C16H18N2O3 — CID 43501209

IUPACN-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c1-10-8-11(2)18-16(21)14(10)15(20)17-9-13(19)12-6-4-3-5-7-12/h3-8,13,19H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXKSZWFXYYPJNLY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.46
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 43501209) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID43501209
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c1-10-8-11(2)18-16(21)14(10)15(20)17-9-13(19)12-6-4-3-5-7-12/h3-8,13,19H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXKSZWFXYYPJNLY-UHFFFAOYSA-N
XLogP1.46
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71849451
N-[(2R)-2-hydroxy-3-phenylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97067509
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-(2-hydroxy-4-methylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103771386
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72866160
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 162163581
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70767353
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97133856

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 43501209) is N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC(O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XKSZWFXYYPJNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-11(2)18-16(21)14(10)15(20)17-9-13(19)12-6-4-3-5-7-12/h3-8,13,19H,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43501209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).