methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate

C23H24N4O5 — CID 95054397

About methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate

methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 95054397) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
• PubChem CID: 95054397
• Molecular Formula: C23H24N4O5
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.17
• IUPAC Name: methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
• SMILES: COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N[C@H](C)c1ccccc1)c(=O)n2C
• InChI: InChI=1S/C23H24N4O5/c1-13(14-7-5-4-6-8-14)24-18(28)12-27-21(29)19-16(22(30)32-3)11-17(15-9-10-15)25-20(19)26(2)23(27)31/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,24,28)/t13-/m1/s1
• InChIKey: OQXDVOOAOZZPGG-CYBMUJFWSA-N
• XLogP: 1.64
• TPSA: 112.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate?

The IUPAC name of methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate (CID 95054397) is methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate.

What is the SMILES notation for methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate?

The canonical SMILES for methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N[C@H](C)c1ccccc1)c(=O)n2C.

What is the InChIKey of methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate?

The InChIKey is OQXDVOOAOZZPGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-13(14-7-5-4-6-8-14)24-18(28)12-27-21(29)19-16(22(30)32-3)11-17(15-9-10-15)25-20(19)26(2)23(27)31/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,24,28)/t13-/m1/s1.

What are the key properties of methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate?

methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 95054397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).