N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

C19H13ClF3N3O — CID 109244388

IUPACN-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13ClF3N3O/c20-16-3-1-2-4-17(16)26-18(27)12-9-15(11-24-10-12)25-14-7-5-13(6-8-14)19(21,22)23/h1-11,25H,(H,26,27)
InChIKeyBVJXGZSIFVKKDG-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.75
Rot. Bonds4

About N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109244388) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109244388
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC NameN-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13ClF3N3O/c20-16-3-1-2-4-17(16)26-18(27)12-9-15(11-24-10-12)25-14-7-5-13(6-8-14)19(21,22)23/h1-11,25H,(H,26,27)
InChIKeyBVJXGZSIFVKKDG-UHFFFAOYSA-N
XLogP5.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241688
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268616
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244353
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
5-(2-chloroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244426
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109244073

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109244388) is N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is BVJXGZSIFVKKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-16-3-1-2-4-17(16)26-18(27)12-9-15(11-24-10-12)25-14-7-5-13(6-8-14)19(21,22)23/h1-11,25H,(H,26,27).
What are the key properties of N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 391.78 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109244388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).