6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

C13H18N2O2S — CID 103757770

IUPAC6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2(C)CCCS2)c[nH]1
InChIInChI=1S/C13H18N2O2S/c1-9-6-11(16)10(7-14-9)12(17)15-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFWFBQHVLKFWJNL-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.70
Rot. Bonds3

About 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103757770) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103757770
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2(C)CCCS2)c[nH]1
InChIInChI=1S/C13H18N2O2S/c1-9-6-11(16)10(7-14-9)12(17)15-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFWFBQHVLKFWJNL-UHFFFAOYSA-N
XLogP1.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 80726234
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113355644
4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245860
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 111539116
6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 81246023
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80544557
4-bromo-N-[(2-methylthiolan-2-yl)methyl]-2-sulfanylbenzamide
CID 107032909
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80744611

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103757770) is 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2(C)CCCS2)c[nH]1.
What is the InChIKey of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FWFBQHVLKFWJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-6-11(16)10(7-14-9)12(17)15-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103757770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).