N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide

C16H20N4O2S — CID 134164274

IUPACN,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(SC2CCOCC2)n1C)c1cccnc1
InChIInChI=1S/C16H20N4O2S/c1-19(12-4-3-7-17-10-12)15(21)14-11-18-16(20(14)2)23-13-5-8-22-9-6-13/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3
InChIKeyLAZVBHVITGVHBS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.36
Rot. Bonds4

About N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide

N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 134164274) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID134164274
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(SC2CCOCC2)n1C)c1cccnc1
InChIInChI=1S/C16H20N4O2S/c1-19(12-4-3-7-17-10-12)15(21)14-11-18-16(20(14)2)23-13-5-8-22-9-6-13/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3
InChIKeyLAZVBHVITGVHBS-UHFFFAOYSA-N
XLogP2.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide (CID 134164274) is N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide is CN(C(=O)c1cnc(SC2CCOCC2)n1C)c1cccnc1.
What is the InChIKey of N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is LAZVBHVITGVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(12-4-3-7-17-10-12)15(21)14-11-18-16(20(14)2)23-13-5-8-22-9-6-13/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3.
What are the key properties of N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide?
N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 134164274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).