2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C19H21N5OS — CID 68872911

IUPAC2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1
InChIInChI=1S/C19H21N5OS/c1-26-17-6-2-5-16(12-17)22-18(25)14-23-8-10-24(11-9-23)19-15(13-20)4-3-7-21-19/h2-7,12H,8-11,14H2,1H3,(H,22,25)
InChIKeyBNXKHZQOUUPVDX-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.44
Rot. Bonds5

About 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 68872911) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID68872911
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1
InChIInChI=1S/C19H21N5OS/c1-26-17-6-2-5-16(12-17)22-18(25)14-23-8-10-24(11-9-23)19-15(13-20)4-3-7-21-19/h2-7,12H,8-11,14H2,1H3,(H,22,25)
InChIKeyBNXKHZQOUUPVDX-UHFFFAOYSA-N
XLogP2.44
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 68875408
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 10406576
N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 68872698
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 10070201
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 68872500
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9223624
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
(2R)-2-[[4-(3-cyano-2-pyridinyl)piperazin-1-yl]methyl]-4-(3-methoxyanilino)-4-oxobutanoic acid
CID 95389338
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
N-(3-methylsulfanylphenyl)-2-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanylacetamide
CID 46393605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 68872911) is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1.
What is the InChIKey of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is BNXKHZQOUUPVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-26-17-6-2-5-16(12-17)22-18(25)14-23-8-10-24(11-9-23)19-15(13-20)4-3-7-21-19/h2-7,12H,8-11,14H2,1H3,(H,22,25).
What are the key properties of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 367.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 68872911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).