6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide

C20H16F3N3O2 — CID 166394067

IUPAC6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Nc2ccccc2C(F)(F)F)c[nH]1
InChIInChI=1S/C20H16F3N3O2/c1-12-10-18(27)13(11-24-12)19(28)26-17-9-5-4-8-16(17)25-15-7-3-2-6-14(15)20(21,22)23/h2-11,25H,1H3,(H,24,27)(H,26,28)
InChIKeyQCDCTTFFDZMKJZ-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.70
Rot. Bonds4

About 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide (PubChem CID 166394067) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide
PubChem CID166394067
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Nc2ccccc2C(F)(F)F)c[nH]1
InChIInChI=1S/C20H16F3N3O2/c1-12-10-18(27)13(11-24-12)19(28)26-17-9-5-4-8-16(17)25-15-7-3-2-6-14(15)20(21,22)23/h2-11,25H,1H3,(H,24,27)(H,26,28)
InChIKeyQCDCTTFFDZMKJZ-UHFFFAOYSA-N
XLogP4.70
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide (CID 166394067) is 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2Nc2ccccc2C(F)(F)F)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is QCDCTTFFDZMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-10-18(27)13(11-24-12)19(28)26-17-9-5-4-8-16(17)25-15-7-3-2-6-14(15)20(21,22)23/h2-11,25H,1H3,(H,24,27)(H,26,28).
What are the key properties of 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166394067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).