N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide

C22H16F6N2O3 — CID 27537500

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(COn2cccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)c1
InChIInChI=1S/C22H16F6N2O3/c1-13-4-2-5-14(8-13)12-33-30-7-3-6-18(20(30)32)19(31)29-17-10-15(21(23,24)25)9-16(11-17)22(26,27)28/h2-11H,12H2,1H3,(H,29,31)
InChIKeyQBEGQUMINMZMLS-UHFFFAOYSA-N
MW470.37 g/mol
LogP5.08
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 27537500) has the molecular formula C22H16F6N2O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID27537500
Molecular FormulaC22H16F6N2O3
Molecular Weight470.37 g/mol
Exact Mass470.11
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(COn2cccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)c1
InChIInChI=1S/C22H16F6N2O3/c1-13-4-2-5-14(8-13)12-33-30-7-3-6-18(20(30)32)19(31)29-17-10-15(21(23,24)25)9-16(11-17)22(26,27)28/h2-11H,12H2,1H3,(H,29,31)
InChIKeyQBEGQUMINMZMLS-UHFFFAOYSA-N
XLogP5.08
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.37
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 27537500) is N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide is Cc1cccc(COn2cccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is QBEGQUMINMZMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O3/c1-13-4-2-5-14(8-13)12-33-30-7-3-6-18(20(30)32)19(31)29-17-10-15(21(23,24)25)9-16(11-17)22(26,27)28/h2-11H,12H2,1H3,(H,29,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 27537500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).