N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C17H20N2O3 — CID 97315276

IUPACN-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCOc1cccc([C@H](C)NC(=O)c2ccn(C)c(=O)c2)c1
InChIInChI=1S/C17H20N2O3/c1-4-22-15-7-5-6-13(10-15)12(2)18-17(21)14-8-9-19(3)16(20)11-14/h5-12H,4H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyFUYPWUWYNHCQNZ-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.28
Rot. Bonds5

About N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 97315276) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID97315276
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCOc1cccc([C@H](C)NC(=O)c2ccn(C)c(=O)c2)c1
InChIInChI=1S/C17H20N2O3/c1-4-22-15-7-5-6-13(10-15)12(2)18-17(21)14-8-9-19(3)16(20)11-14/h5-12H,4H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyFUYPWUWYNHCQNZ-LBPRGKRZSA-N
XLogP2.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1252585
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N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
N-(4-ethoxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
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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-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977509
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71919678

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 97315276) is N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is CCOc1cccc([C@H](C)NC(=O)c2ccn(C)c(=O)c2)c1.
What is the InChIKey of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is FUYPWUWYNHCQNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-22-15-7-5-6-13(10-15)12(2)18-17(21)14-8-9-19(3)16(20)11-14/h5-12H,4H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 97315276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).