4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide

C24H32ClN5O2S — CID 129144059

IUPAC4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N3CCN(S(=O)C4CCCCC4)CC3)c(N)c2)cc1Cl
InChIInChI=1S/C24H32ClN5O2S/c1-28(2)24(31)20-9-8-17(14-21(20)25)18-15-22(26)23(27-16-18)29-10-12-30(13-11-29)33(32)19-6-4-3-5-7-19/h8-9,14-16,19H,3-7,10-13,26H2,1-2H3
InChIKeyNQEMIURWJFXTQD-UHFFFAOYSA-N
MW490.07 g/mol
LogP3.80
Rot. Bonds5

About 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide

4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide (PubChem CID 129144059) has the molecular formula C24H32ClN5O2S and a molecular weight of 490.07 g/mol. Its IUPAC name is 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
PubChem CID129144059
Molecular FormulaC24H32ClN5O2S
Molecular Weight490.07 g/mol
Exact Mass489.20
IUPAC Name4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N3CCN(S(=O)C4CCCCC4)CC3)c(N)c2)cc1Cl
InChIInChI=1S/C24H32ClN5O2S/c1-28(2)24(31)20-9-8-17(14-21(20)25)18-15-22(26)23(27-16-18)29-10-12-30(13-11-29)33(32)19-6-4-3-5-7-19/h8-9,14-16,19H,3-7,10-13,26H2,1-2H3
InChIKeyNQEMIURWJFXTQD-UHFFFAOYSA-N
XLogP3.80
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.07
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
CID 129143800
2-methylpropyl 4-[3-amino-5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]piperazine-1-carboxylate
CID 129143861
4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-3-cyano-2-pyridinyl]piperazine-1-carbonyl chloride
CID 129115797
4-[6-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
CID 129143741
2-chloro-4-[5-cyano-6-(4-propan-2-ylsulfanylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 145309714
2-chloro-4-[5-cyano-6-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 129143784
2-chloro-4-[5-cyano-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 129143729
2-chloro-4-[6-[4-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-5-cyano-3-pyridinyl]-N,N-dimethylbenzamide
CID 129143779
2-chloro-4-[5-cyano-6-[4-[(2-fluorophenyl)methoxy]piperazin-1-yl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 129144056
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine
CID 71144951
4-[6-[4-(benzenesulfonyl)piperazin-1-yl]-5-cyano-3-pyridinyl]-N,N,2-trimethylbenzamide
CID 138492488

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide (CID 129144059) is 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N3CCN(S(=O)C4CCCCC4)CC3)c(N)c2)cc1Cl.
What is the InChIKey of 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
The InChIKey is NQEMIURWJFXTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O2S/c1-28(2)24(31)20-9-8-17(14-21(20)25)18-15-22(26)23(27-16-18)29-10-12-30(13-11-29)33(32)19-6-4-3-5-7-19/h8-9,14-16,19H,3-7,10-13,26H2,1-2H3.
What are the key properties of 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide has a molecular weight of 490.07 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 129144059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).