2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide

C11H12F2N2OS — CID 105380355

IUPAC2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(F)c1F)C1CCSC1
InChIInChI=1S/C11H12F2N2OS/c1-15(7-3-5-17-6-7)11(16)8-2-4-14-10(13)9(8)12/h2,4,7H,3,5-6H2,1H3
InChIKeyAVYJQYSZKMLDAP-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.94
Rot. Bonds2

About 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide

2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide (PubChem CID 105380355) has the molecular formula C11H12F2N2OS and a molecular weight of 258.29 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
PubChem CID105380355
Molecular FormulaC11H12F2N2OS
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Name2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(F)c1F)C1CCSC1
InChIInChI=1S/C11H12F2N2OS/c1-15(7-3-5-17-6-7)11(16)8-2-4-14-10(13)9(8)12/h2,4,7H,3,5-6H2,1H3
InChIKeyAVYJQYSZKMLDAP-UHFFFAOYSA-N
XLogP1.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380342
2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380476
N-(1,1-dioxothiolan-3-yl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380416
2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide
CID 106685400
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107295633
5-amino-2,4-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093800
N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
CID 105380347
5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62954377
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide (CID 105380355) is 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide is CN(C(=O)c1ccnc(F)c1F)C1CCSC1.
What is the InChIKey of 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
The InChIKey is AVYJQYSZKMLDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2OS/c1-15(7-3-5-17-6-7)11(16)8-2-4-14-10(13)9(8)12/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).