1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide

C12H16N2O2S — CID 71971591

IUPAC1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCS2)ccc1=O
InChIInChI=1S/C12H16N2O2S/c1-14-8-9(4-5-11(14)15)12(16)13-7-10-3-2-6-17-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyYZWYBWLSRBNWGF-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.01
Rot. Bonds3

About 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide

1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 71971591) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID71971591
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCS2)ccc1=O
InChIInChI=1S/C12H16N2O2S/c1-14-8-9(4-5-11(14)15)12(16)13-7-10-3-2-6-17-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyYZWYBWLSRBNWGF-UHFFFAOYSA-N
XLogP1.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide (CID 71971591) is 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide is Cn1cc(C(=O)NCC2CCCS2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is YZWYBWLSRBNWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-14-8-9(4-5-11(14)15)12(16)13-7-10-3-2-6-17-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,13,16).
What are the key properties of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71971591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).