N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C24H26N4OS — CID 30840212

IUPACN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(Sc2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2)c(C)c1
InChIInChI=1S/C24H26N4OS/c1-17-3-8-22(18(2)15-17)30-21-6-4-20(5-7-21)27-24(29)19-9-13-28(14-10-19)23-16-25-11-12-26-23/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3,(H,27,29)
InChIKeyYSMFZHXJHFSHMW-UHFFFAOYSA-N
MW418.57 g/mol
LogP5.10
Rot. Bonds5

About N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 30840212) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID30840212
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(Sc2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2)c(C)c1
InChIInChI=1S/C24H26N4OS/c1-17-3-8-22(18(2)15-17)30-21-6-4-20(5-7-21)27-24(29)19-9-13-28(14-10-19)23-16-25-11-12-26-23/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3,(H,27,29)
InChIKeyYSMFZHXJHFSHMW-UHFFFAOYSA-N
XLogP5.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
CID 7925847
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129880
N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166244884
4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646908
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
CID 126794812
N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166239062
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 112830981

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 30840212) is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is Cc1ccc(Sc2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is YSMFZHXJHFSHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-17-3-8-22(18(2)15-17)30-21-6-4-20(5-7-21)27-24(29)19-9-13-28(14-10-19)23-16-25-11-12-26-23/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 30840212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).