N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide

C16H19N7OS — CID 172891499

IUPACN-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCSc1ncc(C#N)c(N2CCC(NC(=O)c3ccnn3C)CC2)n1
InChIInChI=1S/C16H19N7OS/c1-22-13(3-6-19-22)15(24)20-12-4-7-23(8-5-12)14-11(9-17)10-18-16(21-14)25-2/h3,6,10,12H,4-5,7-8H2,1-2H3,(H,20,24)
InChIKeyVUXCBRATGMECFM-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.20
Rot. Bonds4

About N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide

N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 172891499) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID172891499
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC NameN-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCSc1ncc(C#N)c(N2CCC(NC(=O)c3ccnn3C)CC2)n1
InChIInChI=1S/C16H19N7OS/c1-22-13(3-6-19-22)15(24)20-12-4-7-23(8-5-12)14-11(9-17)10-18-16(21-14)25-2/h3,6,10,12H,4-5,7-8H2,1-2H3,(H,20,24)
InChIKeyVUXCBRATGMECFM-UHFFFAOYSA-N
XLogP1.20
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171993013
2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903205
2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172892260
N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172901069
2-methylsulfanyl-4-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 166602573
2-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172891004
2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892019
N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649792
4-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 119037502
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
4-(4-cyclopentylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 171335261
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide (CID 172891499) is N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide is CSc1ncc(C#N)c(N2CCC(NC(=O)c3ccnn3C)CC2)n1.
What is the InChIKey of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VUXCBRATGMECFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-22-13(3-6-19-22)15(24)20-12-4-7-23(8-5-12)14-11(9-17)10-18-16(21-14)25-2/h3,6,10,12H,4-5,7-8H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 172891499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).