N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C23H15ClF3N5O2S — CID 16730716

IUPACN-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3csnn3)cc2)c1
InChIInChI=1S/C23H15ClF3N5O2S/c1-12-16(7-9-20(28-12)23(25,26)27)22(34)29-15-6-8-17(24)18(10-15)30-21(33)14-4-2-13(3-5-14)19-11-35-32-31-19/h2-11H,1H3,(H,29,34)(H,30,33)
InChIKeyUOUNRTOARYWRRE-UHFFFAOYSA-N
MW517.92 g/mol
LogP6.09
Rot. Bonds5

About N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 16730716) has the molecular formula C23H15ClF3N5O2S and a molecular weight of 517.92 g/mol. Its IUPAC name is N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID16730716
Molecular FormulaC23H15ClF3N5O2S
Molecular Weight517.92 g/mol
Exact Mass517.06
IUPAC NameN-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3csnn3)cc2)c1
InChIInChI=1S/C23H15ClF3N5O2S/c1-12-16(7-9-20(28-12)23(25,26)27)22(34)29-15-6-8-17(24)18(10-15)30-21(33)14-4-2-13(3-5-14)19-11-35-32-31-19/h2-11H,1H3,(H,29,34)(H,30,33)
InChIKeyUOUNRTOARYWRRE-UHFFFAOYSA-N
XLogP6.09
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.92
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730638
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029
N-(4-chloro-3-pyrazol-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 45485749
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
4-(methylsulfamoyl)-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984008
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N,N-dimethylmethanamine oxide
CID 143198901
N-(5-acetamido-2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 59633084
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 16730716) is N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3csnn3)cc2)c1.
What is the InChIKey of N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UOUNRTOARYWRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O2S/c1-12-16(7-9-20(28-12)23(25,26)27)22(34)29-15-6-8-17(24)18(10-15)30-21(33)14-4-2-13(3-5-14)19-11-35-32-31-19/h2-11H,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 517.92 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 16730716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).