6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C16H16N6OS — CID 154873773

IUPAC6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCSc1ccnc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C16H16N6OS/c1-24-14-4-5-18-15(20-14)16(23)22-8-6-21(7-9-22)13-3-2-12(10-17)11-19-13/h2-5,11H,6-9H2,1H3
InChIKeyXUOMBUYMVBSIFU-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.43
Rot. Bonds3

About 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 154873773) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID154873773
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCSc1ccnc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C16H16N6OS/c1-24-14-4-5-18-15(20-14)16(23)22-8-6-21(7-9-22)13-3-2-12(10-17)11-19-13/h2-5,11H,6-9H2,1H3
InChIKeyXUOMBUYMVBSIFU-UHFFFAOYSA-N
XLogP1.43
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 47067765
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 154873773) is 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is CSc1ccnc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1.
What is the InChIKey of 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XUOMBUYMVBSIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-24-14-4-5-18-15(20-14)16(23)22-8-6-21(7-9-22)13-3-2-12(10-17)11-19-13/h2-5,11H,6-9H2,1H3.
What are the key properties of 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 340.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154873773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).