N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide

C18H28N2O3 — CID 125168089

IUPACN-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C(C)C)n(C)c1=O
InChIInChI=1S/C18H28N2O3/c1-5-20(12-14-8-6-7-11-23-14)18(22)15-9-10-16(13(2)3)19(4)17(15)21/h9-10,13-14H,5-8,11-12H2,1-4H3/t14-/m0/s1
InChIKeyQBMSTZGCATVXAI-AWEZNQCLSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide

N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 125168089) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide
PubChem CID125168089
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C(C)C)n(C)c1=O
InChIInChI=1S/C18H28N2O3/c1-5-20(12-14-8-6-7-11-23-14)18(22)15-9-10-16(13(2)3)19(4)17(15)21/h9-10,13-14H,5-8,11-12H2,1-4H3/t14-/m0/s1
InChIKeyQBMSTZGCATVXAI-AWEZNQCLSA-N
XLogP2.54
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 94489587
N-ethyl-6-(furan-2-yl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95977442
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide (CID 125168089) is N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide is CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C(C)C)n(C)c1=O.
What is the InChIKey of N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QBMSTZGCATVXAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-20(12-14-8-6-7-11-23-14)18(22)15-9-10-16(13(2)3)19(4)17(15)21/h9-10,13-14H,5-8,11-12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 125168089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).