6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid

C18H18N2O4 — CID 120701779

IUPAC6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)n1
InChIInChI=1S/C18H18N2O4/c21-17(14-7-4-8-15(20-14)18(22)23)19-11-13-9-10-24-16(13)12-5-2-1-3-6-12/h1-8,13,16H,9-11H2,(H,19,21)(H,22,23)/t13-,16-/m1/s1
InChIKeyJQLXMTHBQXGBPG-CZUORRHYSA-N
MW326.35 g/mol
LogP2.29
Rot. Bonds5

About 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid

6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 120701779) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID120701779
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)n1
InChIInChI=1S/C18H18N2O4/c21-17(14-7-4-8-15(20-14)18(22)23)19-11-13-9-10-24-16(13)12-5-2-1-3-6-12/h1-8,13,16H,9-11H2,(H,19,21)(H,22,23)/t13-,16-/m1/s1
InChIKeyJQLXMTHBQXGBPG-CZUORRHYSA-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

4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
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
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
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
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 120701779) is 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)n1.
What is the InChIKey of 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JQLXMTHBQXGBPG-CZUORRHYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(14-7-4-8-15(20-14)18(22)23)19-11-13-9-10-24-16(13)12-5-2-1-3-6-12/h1-8,13,16H,9-11H2,(H,19,21)(H,22,23)/t13-,16-/m1/s1.
What are the key properties of 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
6-[[(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 6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120701779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).