4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide

C24H20F3N5O3 — CID 139501478

About 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide

4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide (PubChem CID 139501478) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide
• PubChem CID: 139501478
• Molecular Formula: C24H20F3N5O3
• Molecular Weight: 483.45 g/mol
• Exact Mass: 483.15
• IUPAC Name: 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide
• SMILES: CCNC(=O)N1C(=O)N(c2ccnc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C
• InChI: InChI=1S/C24H20F3N5O3/c1-3-29-22(34)32-21(16-5-4-14(12-28)10-13(16)2)20-17(6-7-18(20)33)31(23(32)35)15-8-9-30-19(11-15)24(25,26)27/h4-5,8-11,21H,3,6-7H2,1-2H3,(H,29,34)
• InChIKey: XZICDYDGZZTMCA-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 106.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

The IUPAC name of 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide (CID 139501478) is 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide.

What is the SMILES notation for 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

The canonical SMILES for 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide is CCNC(=O)N1C(=O)N(c2ccnc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C.

What is the InChIKey of 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

The InChIKey is XZICDYDGZZTMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-3-29-22(34)32-21(16-5-4-14(12-28)10-13(16)2)20-17(6-7-18(20)33)31(23(32)35)15-8-9-30-19(11-15)24(25,26)27/h4-5,8-11,21H,3,6-7H2,1-2H3,(H,29,34).

What are the key properties of 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyano-2-methylphenyl)-N-ethyl-2,5-dioxo-1-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide is sourced from PubChem (CID 139501478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).