N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

C13H18N2O3S — CID 97414576

IUPACN-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCO[C@]1(CNC(=O)c2cccn(C)c2=O)CCSC1
InChIInChI=1S/C13H18N2O3S/c1-15-6-3-4-10(12(15)17)11(16)14-8-13(18-2)5-7-19-9-13/h3-4,6H,5,7-9H2,1-2H3,(H,14,16)/t13-/m0/s1
InChIKeyRZPCUKYSIOUINQ-ZDUSSCGKSA-N
MW282.36 g/mol
LogP0.64
Rot. Bonds4

About N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 97414576) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID97414576
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCO[C@]1(CNC(=O)c2cccn(C)c2=O)CCSC1
InChIInChI=1S/C13H18N2O3S/c1-15-6-3-4-10(12(15)17)11(16)14-8-13(18-2)5-7-19-9-13/h3-4,6H,5,7-9H2,1-2H3,(H,14,16)/t13-/m0/s1
InChIKeyRZPCUKYSIOUINQ-ZDUSSCGKSA-N
XLogP0.64
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 97414576) is N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is CO[C@]1(CNC(=O)c2cccn(C)c2=O)CCSC1.
What is the InChIKey of N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is RZPCUKYSIOUINQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-15-6-3-4-10(12(15)17)11(16)14-8-13(18-2)5-7-19-9-13/h3-4,6H,5,7-9H2,1-2H3,(H,14,16)/t13-/m0/s1.
What are the key properties of N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 97414576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).