5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid

C16H20N2O4S — CID 125153508

IUPAC5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cn1
InChIInChI=1S/C16H20N2O4S/c19-15(11-3-4-14(16(20)21)17-8-11)18(12-5-7-23-10-12)9-13-2-1-6-22-13/h3-4,8,12-13H,1-2,5-7,9-10H2,(H,20,21)/t12-,13-/m1/s1
InChIKeyUWESUHCHGGHQLO-CHWSQXEVSA-N
MW336.41 g/mol
LogP1.91
Rot. Bonds5

About 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid

5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 125153508) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID125153508
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cn1
InChIInChI=1S/C16H20N2O4S/c19-15(11-3-4-14(16(20)21)17-8-11)18(12-5-7-23-10-12)9-13-2-1-6-22-13/h3-4,8,12-13H,1-2,5-7,9-10H2,(H,20,21)/t12-,13-/m1/s1
InChIKeyUWESUHCHGGHQLO-CHWSQXEVSA-N
XLogP1.91
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide
CID 95192653
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]isoquinoline-1-carboxamide
CID 95326524
6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 55613399
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-N-[(3S)-thiolan-3-yl]-3H-1,3-benzoxazole-6-carboxamide
CID 95907854
N-[[(2R)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-7-carboxamide
CID 97079734
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid (CID 125153508) is 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cn1.
What is the InChIKey of 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UWESUHCHGGHQLO-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-15(11-3-4-14(16(20)21)17-8-11)18(12-5-7-23-10-12)9-13-2-1-6-22-13/h3-4,8,12-13H,1-2,5-7,9-10H2,(H,20,21)/t12-,13-/m1/s1.
What are the key properties of 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid?
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 125153508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).