6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C28H30N4O — CID 174612465

About 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612465) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

• Compound Name: 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
• PubChem CID: 174612465
• Molecular Formula: C28H30N4O
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.24
• IUPAC Name: 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
• SMILES: Cc1cc(C)cc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(C=O)NC=C3)c1
• InChI: InChI=1S/C28H30N4O/c1-18-13-19(2)15-23(14-18)25-16-22-9-12-30-26(17-33)27(22)28(32-25)31-24-5-3-20(4-6-24)21-7-10-29-11-8-21/h3-6,9,12-17,21,26,29-30H,7-8,10-11H2,1-2H3,(H,31,32)
• InChIKey: LUEKXYIOQXMVBR-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 66.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?

The IUPAC name of 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612465) is 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

What is the SMILES notation for 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?

The canonical SMILES for 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is Cc1cc(C)cc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(C=O)NC=C3)c1.

What is the InChIKey of 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?

The InChIKey is LUEKXYIOQXMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-18-13-19(2)15-23(14-18)25-16-22-9-12-30-26(17-33)27(22)28(32-25)31-24-5-3-20(4-6-24)21-7-10-29-11-8-21/h3-6,9,12-17,21,26,29-30H,7-8,10-11H2,1-2H3,(H,31,32).

What are the key properties of 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?

6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 438.58 g/mol, XLogP of 5.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).