1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

C25H26FN5O4 — CID 55964854

About 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 55964854) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 55964854
• Molecular Formula: C25H26FN5O4
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.20
• IUPAC Name: 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C3CC3)CC2)cc1F
• InChI: InChI=1S/C25H26FN5O4/c1-14-2-3-15(10-20(14)26)12-28-22(32)16-6-8-30(9-7-16)24(34)17-11-19-21(27-13-17)31(18-4-5-18)25(35)29-23(19)33/h2-3,10-11,13,16,18H,4-9,12H2,1H3,(H,28,32)(H,29,33,35)
• InChIKey: COZLPTSVTJQBFV-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 117.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (CID 55964854) is 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C3CC3)CC2)cc1F.

What is the InChIKey of 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?

The InChIKey is COZLPTSVTJQBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-14-2-3-15(10-20(14)26)12-28-22(32)16-6-8-30(9-7-16)24(34)17-11-19-21(27-13-17)31(18-4-5-18)25(35)29-23(19)33/h2-3,10-11,13,16,18H,4-9,12H2,1H3,(H,28,32)(H,29,33,35).

What are the key properties of 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?

1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55964854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).