N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C27H23N5O3 — CID 135894645

About N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 135894645) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 135894645
• Molecular Formula: C27H23N5O3
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.18
• IUPAC Name: N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CCn1cc(C(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)c(=O)c2ccc(C)nc21
• InChI: InChI=1S/C27H23N5O3/c1-3-31-16-21(24(33)20-14-13-17(2)28-25(20)31)26(34)30-29-23-19-11-7-8-12-22(19)32(27(23)35)15-18-9-5-4-6-10-18/h4-14,16,35H,3,15H2,1-2H3/b30-29+
• InChIKey: YDDPMGBPPSHIPZ-QVIHXGFCSA-N
• XLogP: 5.36
• TPSA: 101.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 135894645) is N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)c(=O)c2ccc(C)nc21.

What is the InChIKey of N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is YDDPMGBPPSHIPZ-QVIHXGFCSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-3-31-16-21(24(33)20-14-13-17(2)28-25(20)31)26(34)30-29-23-19-11-7-8-12-22(19)32(27(23)35)15-18-9-5-4-6-10-18/h4-14,16,35H,3,15H2,1-2H3/b30-29+.

What are the key properties of N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135894645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).