N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C17H20N4OS — CID 86987118

IUPACN-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H20N4OS/c1-23-16-5-3-2-4-15(16)19-17(22)21-12-10-20(11-13-21)14-6-8-18-9-7-14/h2-9H,10-13H2,1H3,(H,19,22)
InChIKeySBDLMRVSGLPHHW-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.16
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86987118) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86987118
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H20N4OS/c1-23-16-5-3-2-4-15(16)19-17(22)21-12-10-20(11-13-21)14-6-8-18-9-7-14/h2-9H,10-13H2,1H3,(H,19,22)
InChIKeySBDLMRVSGLPHHW-UHFFFAOYSA-N
XLogP3.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 58899705
N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988495
N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43683305
N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47750340
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86987118) is N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is CSc1ccccc1NC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is SBDLMRVSGLPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-23-16-5-3-2-4-15(16)19-17(22)21-12-10-20(11-13-21)14-6-8-18-9-7-14/h2-9H,10-13H2,1H3,(H,19,22).
What are the key properties of N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86987118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).