3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

C28H19F3N6O2 — CID 154321064

About 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (PubChem CID 154321064) has the molecular formula C28H19F3N6O2 and a molecular weight of 528.49 g/mol. Its IUPAC name is 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
• PubChem CID: 154321064
• Molecular Formula: C28H19F3N6O2
• Molecular Weight: 528.49 g/mol
• Exact Mass: 528.15
• IUPAC Name: 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
• SMILES: NC(=O)c1cccc(C(=O)N(c2ccccc2)c2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1
• InChI: InChI=1S/C28H19F3N6O2/c29-28(30,31)24-15-23(20-8-5-13-33-16-20)35-37(24)22-11-12-25(34-17-22)36(21-9-2-1-3-10-21)27(39)19-7-4-6-18(14-19)26(32)38/h1-17H,(H2,32,38)
• InChIKey: UNBICWXUCRFOSN-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 107.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.49
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

The IUPAC name of 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (CID 154321064) is 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)N(c2ccccc2)c2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.

What is the InChIKey of 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

The InChIKey is UNBICWXUCRFOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N6O2/c29-28(30,31)24-15-23(20-8-5-13-33-16-20)35-37(24)22-11-12-25(34-17-22)36(21-9-2-1-3-10-21)27(39)19-7-4-6-18(14-19)26(32)38/h1-17H,(H2,32,38).

What are the key properties of 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide has a molecular weight of 528.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 154321064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).