methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate

C25H32N4O3 — CID 175207511

About methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate

methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate (PubChem CID 175207511) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate.

Molecular Properties

• Compound Name: methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate
• PubChem CID: 175207511
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate
• SMILES: COC(=O)C(c1ccccc1)N(C)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C25H32N4O3/c1-28(23(25(31)32-2)18-7-4-3-5-8-18)21-14-16-29(17-21)22(30)13-12-20-11-10-19-9-6-15-26-24(19)27-20/h3-5,7-8,10-11,21,23H,6,9,12-17H2,1-2H3,(H,26,27)
• InChIKey: YGBCUXQGXWNYKK-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate?

The IUPAC name of methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate (CID 175207511) is methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate.

What is the SMILES notation for methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate?

The canonical SMILES for methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate is COC(=O)C(c1ccccc1)N(C)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate?

The InChIKey is YGBCUXQGXWNYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-28(23(25(31)32-2)18-7-4-3-5-8-18)21-14-16-29(17-21)22(30)13-12-20-11-10-19-9-6-15-26-24(19)27-20/h3-5,7-8,10-11,21,23H,6,9,12-17H2,1-2H3,(H,26,27).

What are the key properties of methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate?

methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate has a molecular weight of 436.56 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[methyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]pyrrolidin-3-yl]amino]-2-phenylacetate is sourced from PubChem (CID 175207511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).