N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide

C10H12N2O3S — CID 68737166

IUPACN-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCSC1(O)O)c1ccccn1
InChIInChI=1S/C10H12N2O3S/c13-9(7-3-1-2-5-11-7)12-8-4-6-16-10(8,14)15/h1-3,5,8,14-15H,4,6H2,(H,12,13)
InChIKeyPJWPUEXZUOCNLK-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.04
Rot. Bonds2

About N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide

N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide (PubChem CID 68737166) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide
PubChem CID68737166
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCSC1(O)O)c1ccccn1
InChIInChI=1S/C10H12N2O3S/c13-9(7-3-1-2-5-11-7)12-8-4-6-16-10(8,14)15/h1-3,5,8,14-15H,4,6H2,(H,12,13)
InChIKeyPJWPUEXZUOCNLK-UHFFFAOYSA-N
XLogP-0.04
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601
N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 110461600
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide (CID 68737166) is N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide is O=C(NC1CCSC1(O)O)c1ccccn1.
What is the InChIKey of N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is PJWPUEXZUOCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9(7-3-1-2-5-11-7)12-8-4-6-16-10(8,14)15/h1-3,5,8,14-15H,4,6H2,(H,12,13).
What are the key properties of N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide?
N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 240.28 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 68737166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).