N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide

C16H16N6OS — CID 134164300

IUPACN,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCc1cnc(Sc2ncc(C(=O)N(C)c3cccnc3)n2C)nc1
InChIInChI=1S/C16H16N6OS/c1-11-7-18-15(19-8-11)24-16-20-10-13(22(16)3)14(23)21(2)12-5-4-6-17-9-12/h4-10H,1-3H3
InChIKeyQMZSUNVXFAVUAH-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.34
Rot. Bonds4

About N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide

N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 134164300) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID134164300
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCc1cnc(Sc2ncc(C(=O)N(C)c3cccnc3)n2C)nc1
InChIInChI=1S/C16H16N6OS/c1-11-7-18-15(19-8-11)24-16-20-10-13(22(16)3)14(23)21(2)12-5-4-6-17-9-12/h4-10H,1-3H3
InChIKeyQMZSUNVXFAVUAH-UHFFFAOYSA-N
XLogP2.34
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164319
N-methyl-N-[1-(3-methyl-2-pyrimidin-2-ylsulfanylimidazol-4-yl)ethenyl]pyridin-3-amine
CID 139421049
2-butylsulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164271
N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide
CID 134164302
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-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260928
N,3-dimethyl-2-morpholin-4-yl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130302801
N,3-dimethyl-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260897
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 137496518

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide (CID 134164300) is N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide is Cc1cnc(Sc2ncc(C(=O)N(C)c3cccnc3)n2C)nc1.
What is the InChIKey of N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is QMZSUNVXFAVUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-11-7-18-15(19-8-11)24-16-20-10-13(22(16)3)14(23)21(2)12-5-4-6-17-9-12/h4-10H,1-3H3.
What are the key properties of N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide?
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 134164300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).