N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide

C18H22N2O2 — CID 111758403

IUPACN-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)c1ccc(C)nc1
InChIInChI=1S/C18H22N2O2/c1-4-20(18(22)16-10-7-14(3)19-11-16)12-17(21)15-8-5-13(2)6-9-15/h5-11,17,21H,4,12H2,1-3H3
InChIKeyBOVAMCWVWKKTFE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds5

About N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide

N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 111758403) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID111758403
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)c1ccc(C)nc1
InChIInChI=1S/C18H22N2O2/c1-4-20(18(22)16-10-7-14(3)19-11-16)12-17(21)15-8-5-13(2)6-9-15/h5-11,17,21H,4,12H2,1-3H3
InChIKeyBOVAMCWVWKKTFE-UHFFFAOYSA-N
XLogP2.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 97099338
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111722471
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111758375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide (CID 111758403) is N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide is CCN(CC(O)c1ccc(C)cc1)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is BOVAMCWVWKKTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-20(18(22)16-10-7-14(3)19-11-16)12-17(21)15-8-5-13(2)6-9-15/h5-11,17,21H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide?
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 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]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 111758403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).