N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

C13H10F3N3O3S — CID 171502365

IUPACN-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1cccnc1
InChIInChI=1S/C13H10F3N3O3S/c1-23(21,22)12-10(5-9(7-18-12)13(14,15)16)19-11(20)8-3-2-4-17-6-8/h2-7H,1H3,(H,19,20)
InChIKeyRPGXZPOPZSZPRU-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.15
Rot. Bonds3

About N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 171502365) has the molecular formula C13H10F3N3O3S and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID171502365
Molecular FormulaC13H10F3N3O3S
Molecular Weight345.30 g/mol
Exact Mass345.04
IUPAC NameN-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1cccnc1
InChIInChI=1S/C13H10F3N3O3S/c1-23(21,22)12-10(5-9(7-18-12)13(14,15)16)19-11(20)8-3-2-4-17-6-8/h2-7H,1H3,(H,19,20)
InChIKeyRPGXZPOPZSZPRU-UHFFFAOYSA-N
XLogP2.15
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 23122623
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]-3-methylbenzamide
CID 3072238
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 123146301
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (CID 171502365) is N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is CS(=O)(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is RPGXZPOPZSZPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3S/c1-23(21,22)12-10(5-9(7-18-12)13(14,15)16)19-11(20)8-3-2-4-17-6-8/h2-7H,1H3,(H,19,20).
What are the key properties of N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 345.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 171502365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).