4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide

C18H20N2O3 — CID 129002182

IUPAC4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12-9-16(21)19-11-15(12)18(22)20-10-14-7-8-23-17(14)13-5-3-2-4-6-13/h2-6,9,11,14,17H,7-8,10H2,1H3,(H,19,21)(H,20,22)/t14-,17-/m1/s1
InChIKeyNVQIGHUPNWSAHC-RHSMWYFYSA-N
MW312.37 g/mol
LogP2.19
Rot. Bonds4

About 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide

4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 129002182) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID129002182
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12-9-16(21)19-11-15(12)18(22)20-10-14-7-8-23-17(14)13-5-3-2-4-6-13/h2-6,9,11,14,17H,7-8,10H2,1H3,(H,19,21)(H,20,22)/t14-,17-/m1/s1
InChIKeyNVQIGHUPNWSAHC-RHSMWYFYSA-N
XLogP2.19
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129000910
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 52511157
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781
N-[(2-phenyloxan-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47076950
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
1-(2-methoxyethyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 126772714

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 129002182) is 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is NVQIGHUPNWSAHC-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-9-16(21)19-11-15(12)18(22)20-10-14-7-8-23-17(14)13-5-3-2-4-6-13/h2-6,9,11,14,17H,7-8,10H2,1H3,(H,19,21)(H,20,22)/t14-,17-/m1/s1.
What are the key properties of 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide?
4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129002182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).