2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide

C18H20N2O4 — CID 51949056

IUPAC2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C18H20N2O4/c21-17-16(4-1-9-19-17)18(22)20-11-13-5-7-14(8-6-13)24-12-15-3-2-10-23-15/h1,4-9,15H,2-3,10-12H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyMUHZFSWSWKKVFI-HNNXBMFYSA-N
MW328.37 g/mol
LogP1.86
Rot. Bonds6

About 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide

2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 51949056) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID51949056
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C18H20N2O4/c21-17-16(4-1-9-19-17)18(22)20-11-13-5-7-14(8-6-13)24-12-15-3-2-10-23-15/h1,4-9,15H,2-3,10-12H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyMUHZFSWSWKKVFI-HNNXBMFYSA-N
XLogP1.86
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
5-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481831
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
2-(2-chlorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961556
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814237
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481868
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide (CID 51949056) is 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is MUHZFSWSWKKVFI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17-16(4-1-9-19-17)18(22)20-11-13-5-7-14(8-6-13)24-12-15-3-2-10-23-15/h1,4-9,15H,2-3,10-12H2,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51949056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).