3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid

C26H33N5O5 — CID 153402556

About 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid

3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid (PubChem CID 153402556) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid.

Molecular Properties

• Compound Name: 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid
• PubChem CID: 153402556
• Molecular Formula: C26H33N5O5
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.25
• IUPAC Name: 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid
• SMILES: NC(=O)C1=Nc2ccccc2C1O.O=C(O)CCCNC(=O)CCCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C17H25N3O3.C9H8N2O2/c21-15(18-11-4-8-16(22)23)7-2-1-6-14-10-9-13-5-3-12-19-17(13)20-14;10-9(13)7-8(12)5-3-1-2-4-6(5)11-7/h9-10H,1-8,11-12H2,(H,18,21)(H,19,20)(H,22,23);1-4,8,12H,(H2,10,13)
• InChIKey: JXVIEASAWMLMSZ-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 167.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid?

The IUPAC name of 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid (CID 153402556) is 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid.

What is the SMILES notation for 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid?

The canonical SMILES for 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid is NC(=O)C1=Nc2ccccc2C1O.O=C(O)CCCNC(=O)CCCCc1ccc2c(n1)NCCC2.

What is the InChIKey of 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid?

The InChIKey is JXVIEASAWMLMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.C9H8N2O2/c21-15(18-11-4-8-16(22)23)7-2-1-6-14-10-9-13-5-3-12-19-17(13)20-14;10-9(13)7-8(12)5-3-1-2-4-6(5)11-7/h9-10H,1-8,11-12H2,(H,18,21)(H,19,20)(H,22,23);1-4,8,12H,(H2,10,13).

What are the key properties of 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid?

3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid has a molecular weight of 495.58 g/mol, XLogP of 2.42, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-3H-indole-2-carboxamide;4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid is sourced from PubChem (CID 153402556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).