N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide

C17H17N5OS — CID 134164302

IUPACN,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(SCc2ccccn2)n1C)c1cccnc1
InChIInChI=1S/C17H17N5OS/c1-21(14-7-5-8-18-10-14)16(23)15-11-20-17(22(15)2)24-12-13-6-3-4-9-19-13/h3-11H,12H2,1-2H3
InChIKeyASAWRKMNKRHCOD-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.78
Rot. Bonds5

About N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide

N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide (PubChem CID 134164302) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide
PubChem CID134164302
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(SCc2ccccn2)n1C)c1cccnc1
InChIInChI=1S/C17H17N5OS/c1-21(14-7-5-8-18-10-14)16(23)15-11-20-17(22(15)2)24-12-13-6-3-4-9-19-13/h3-11H,12H2,1-2H3
InChIKeyASAWRKMNKRHCOD-UHFFFAOYSA-N
XLogP2.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-butylsulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164271
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164300
2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164319
N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164274
2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 138675099
N,3-dimethyl-2-morpholin-4-yl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130302801
2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260928
N-methyl-N-[1-(3-methyl-2-pyrimidin-2-ylsulfanylimidazol-4-yl)ethenyl]pyridin-3-amine
CID 139421049
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 137496518
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
N,3-dimethyl-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260897

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide (CID 134164302) is N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide is CN(C(=O)c1cnc(SCc2ccccn2)n1C)c1cccnc1.
What is the InChIKey of N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide?
The InChIKey is ASAWRKMNKRHCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21(14-7-5-8-18-10-14)16(23)15-11-20-17(22(15)2)24-12-13-6-3-4-9-19-13/h3-11H,12H2,1-2H3.
What are the key properties of N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide?
N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide is sourced from PubChem (CID 134164302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).