N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H22N2O3 — CID 110014885

IUPACN-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)c1c(C)cc[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-4-20(11-15(21)14-7-5-12(2)6-8-14)18(23)16-13(3)9-10-19-17(16)22/h5-10,15,21H,4,11H2,1-3H3,(H,19,22)
InChIKeyNOMCRPFASNXGAB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide

N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110014885) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110014885
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)c1c(C)cc[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-4-20(11-15(21)14-7-5-12(2)6-8-14)18(23)16-13(3)9-10-19-17(16)22/h5-10,15,21H,4,11H2,1-3H3,(H,19,22)
InChIKeyNOMCRPFASNXGAB-UHFFFAOYSA-N
XLogP2.19
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403
3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 97099338
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722248
3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722268
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111758375
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 111758398
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683395
1-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334139
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 119334134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 110014885) is N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide is CCN(CC(O)c1ccc(C)cc1)C(=O)c1c(C)cc[nH]c1=O.
What is the InChIKey of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NOMCRPFASNXGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-20(11-15(21)14-7-5-12(2)6-8-14)18(23)16-13(3)9-10-19-17(16)22/h5-10,15,21H,4,11H2,1-3H3,(H,19,22).
What are the key properties of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110014885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).