1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide

C24H31N7O4 — CID 175466295

About 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide

1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 175466295) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide
• PubChem CID: 175466295
• Molecular Formula: C24H31N7O4
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.24
• IUPAC Name: 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide
• SMILES: CC(C)(C)[C@@H](C(=O)N1CC(O)CC1C(=O)NC1Cc2cccnc2NC1=O)n1cc(C2CC2)nn1
• InChI: InChI=1S/C24H31N7O4/c1-24(2,3)19(31-12-17(28-29-31)13-6-7-13)23(35)30-11-15(32)10-18(30)22(34)26-16-9-14-5-4-8-25-20(14)27-21(16)33/h4-5,8,12-13,15-16,18-19,32H,6-7,9-11H2,1-3H3,(H,26,34)(H,25,27,33)/t15?,16?,18?,19-/m1/s1
• InChIKey: NGJRDXADEGTXTP-DLIOQLPESA-N
• XLogP: 0.78
• TPSA: 142.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide (CID 175466295) is 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide is CC(C)(C)[C@@H](C(=O)N1CC(O)CC1C(=O)NC1Cc2cccnc2NC1=O)n1cc(C2CC2)nn1.

What is the InChIKey of 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide?

The InChIKey is NGJRDXADEGTXTP-DLIOQLPESA-N. The full InChI is InChI=1S/C24H31N7O4/c1-24(2,3)19(31-12-17(28-29-31)13-6-7-13)23(35)30-11-15(32)10-18(30)22(34)26-16-9-14-5-4-8-25-20(14)27-21(16)33/h4-5,8,12-13,15-16,18-19,32H,6-7,9-11H2,1-3H3,(H,26,34)(H,25,27,33)/t15?,16?,18?,19-/m1/s1.

What are the key properties of 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide?

1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175466295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).