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

C17H21N7OS — CID 172901069

IUPACN-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCSc1ncc(C#N)c(N2CCC(N(C)C(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C17H21N7OS/c1-22-7-6-14(21-22)16(25)23(2)13-4-8-24(9-5-13)15-12(10-18)11-19-17(20-15)26-3/h6-7,11,13H,4-5,8-9H2,1-3H3
InChIKeyJDDXKPKVZOGZAV-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.54
Rot. Bonds4

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

N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 172901069) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID172901069
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC NameN-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCSc1ncc(C#N)c(N2CCC(N(C)C(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C17H21N7OS/c1-22-7-6-14(21-22)16(25)23(2)13-4-8-24(9-5-13)15-12(10-18)11-19-17(20-15)26-3/h6-7,11,13H,4-5,8-9H2,1-3H3
InChIKeyJDDXKPKVZOGZAV-UHFFFAOYSA-N
XLogP1.54
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166603407
4-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 155981108
2-methylsulfanyl-4-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 166602573
N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172900245
N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 172891499
N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172900579
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
4-(4-cyclopentylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 171335261
4-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 119037502
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172902444
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881913

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (CID 172901069) is N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide is CSc1ncc(C#N)c(N2CCC(N(C)C(=O)c3ccn(C)n3)CC2)n1.
What is the InChIKey of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is JDDXKPKVZOGZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-22-7-6-14(21-22)16(25)23(2)13-4-8-24(9-5-13)15-12(10-18)11-19-17(20-15)26-3/h6-7,11,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 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]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172901069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).