4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid

C18H18N2O4 — CID 120701781

IUPAC4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H18N2O4/c21-17(13-6-8-19-15(10-13)18(22)23)20-11-14-7-9-24-16(14)12-4-2-1-3-5-12/h1-6,8,10,14,16H,7,9,11H2,(H,20,21)(H,22,23)/t14-,16-/m1/s1
InChIKeyAIQZUFLCQFREHW-GDBMZVCRSA-N
MW326.35 g/mol
LogP2.29
Rot. Bonds5

About 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid

4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 120701781) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID120701781
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H18N2O4/c21-17(13-6-8-19-15(10-13)18(22)23)20-11-14-7-9-24-16(14)12-4-2-1-3-5-12/h1-6,8,10,14,16H,7,9,11H2,(H,20,21)(H,22,23)/t14-,16-/m1/s1
InChIKeyAIQZUFLCQFREHW-GDBMZVCRSA-N
XLogP2.29
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129000910
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
2-(1,2-oxazol-3-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]acetamide
CID 129002650
4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129002182
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 122139331
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129000845
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 120701781) is 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid is O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is AIQZUFLCQFREHW-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(13-6-8-19-15(10-13)18(22)23)20-11-14-7-9-24-16(14)12-4-2-1-3-5-12/h1-6,8,10,14,16H,7,9,11H2,(H,20,21)(H,22,23)/t14-,16-/m1/s1.
What are the key properties of 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120701781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).