6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide

C25H25F3N4O3S — CID 53354500

IUPAC6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N4O3S/c1-17-21(18-6-9-20(10-7-18)25(26,27)28)4-3-5-22(17)30-24(33)19-8-11-23(29-16-19)31-12-14-32(15-13-31)36(2,34)35/h3-11,16H,12-15H2,1-2H3,(H,30,33)
InChIKeySVDNGHQYKCFVFZ-UHFFFAOYSA-N
MW518.56 g/mol
LogP4.41
Rot. Bonds5

About 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide

6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide (PubChem CID 53354500) has the molecular formula C25H25F3N4O3S and a molecular weight of 518.56 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
PubChem CID53354500
Molecular FormulaC25H25F3N4O3S
Molecular Weight518.56 g/mol
Exact Mass518.16
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N4O3S/c1-17-21(18-6-9-20(10-7-18)25(26,27)28)4-3-5-22(17)30-24(33)19-8-11-23(29-16-19)31-12-14-32(15-13-31)36(2,34)35/h3-11,16H,12-15H2,1-2H3,(H,30,33)
InChIKeySVDNGHQYKCFVFZ-UHFFFAOYSA-N
XLogP4.41
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
CID 53354399
N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 53354707
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
6-(azepan-1-yl)-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 36995922
N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
CID 70860526
N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70001265
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1484987
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide (CID 53354500) is 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide is Cc1c(NC(=O)c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide?
The InChIKey is SVDNGHQYKCFVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3S/c1-17-21(18-6-9-20(10-7-18)25(26,27)28)4-3-5-22(17)30-24(33)19-8-11-23(29-16-19)31-12-14-32(15-13-31)36(2,34)35/h3-11,16H,12-15H2,1-2H3,(H,30,33).
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide?
6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide has a molecular weight of 518.56 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53354500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).