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

C21H16F3N3O2 — CID 109245760

IUPACN-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C21H16F3N3O2/c1-13(28)14-2-6-18(7-3-14)27-20(29)15-10-19(12-25-11-15)26-17-8-4-16(5-9-17)21(22,23)24/h2-12,26H,1H3,(H,27,29)
InChIKeyMXINFNOPBZFMNJ-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.30
Rot. Bonds5

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

N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109245760) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109245760
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC NameN-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C21H16F3N3O2/c1-13(28)14-2-6-18(7-3-14)27-20(29)15-10-19(12-25-11-15)26-17-8-4-16(5-9-17)21(22,23)24/h2-12,26H,1H3,(H,27,29)
InChIKeyMXINFNOPBZFMNJ-UHFFFAOYSA-N
XLogP5.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241688
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109244388
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102234
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109245760) is N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(Nc3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is MXINFNOPBZFMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-13(28)14-2-6-18(7-3-14)27-20(29)15-10-19(12-25-11-15)26-17-8-4-16(5-9-17)21(22,23)24/h2-12,26H,1H3,(H,27,29).
What are the key properties of N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109245760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).