N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C17H20N2O3 — CID 95977509

IUPACN-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1cccc([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C17H20N2O3/c1-4-22-14-7-5-6-13(10-14)12(3)19-17(21)15-9-8-11(2)18-16(15)20/h5-10,12H,4H2,1-3H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyIIGHIMMOCSEYRN-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds5

About N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95977509) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95977509
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1cccc([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C17H20N2O3/c1-4-22-14-7-5-6-13(10-14)12(3)19-17(21)15-9-8-11(2)18-16(15)20/h5-10,12H,4H2,1-3H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyIIGHIMMOCSEYRN-LBPRGKRZSA-N
XLogP2.57
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 97315276
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95977509) is N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is CCOc1cccc([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1.
What is the InChIKey of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IIGHIMMOCSEYRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-22-14-7-5-6-13(10-14)12(3)19-17(21)15-9-8-11(2)18-16(15)20/h5-10,12H,4H2,1-3H3,(H,18,20)(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95977509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).