methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate

C34H30Cl2N6O5 — CID 135174019

About methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate

methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate (PubChem CID 135174019) has the molecular formula C34H30Cl2N6O5 and a molecular weight of 673.56 g/mol. Its IUPAC name is methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate
• PubChem CID: 135174019
• Molecular Formula: C34H30Cl2N6O5
• Molecular Weight: 673.56 g/mol
• Exact Mass: 672.17
• IUPAC Name: methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate
• SMILES: COC(=O)C1CN(Cc2cnc3c(Nc4cccc(-c5cccc(NC(=O)C6=CC(C=O)=CN(C)C6O)c5Cl)c4Cl)nccc3c2)C1
• InChI: InChI=1S/C34H30Cl2N6O5/c1-41-14-20(18-43)12-25(33(41)45)32(44)40-27-8-4-6-24(29(27)36)23-5-3-7-26(28(23)35)39-31-30-21(9-10-37-31)11-19(13-38-30)15-42-16-22(17-42)34(46)47-2/h3-14,18,22,33,45H,15-17H2,1-2H3,(H,37,39)(H,40,44)
• InChIKey: FNYQAUOVKSNWMZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 136.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.56
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate?

The IUPAC name of methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate (CID 135174019) is methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate.

What is the SMILES notation for methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate?

The canonical SMILES for methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate is COC(=O)C1CN(Cc2cnc3c(Nc4cccc(-c5cccc(NC(=O)C6=CC(C=O)=CN(C)C6O)c5Cl)c4Cl)nccc3c2)C1.

What is the InChIKey of methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate?

The InChIKey is FNYQAUOVKSNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30Cl2N6O5/c1-41-14-20(18-43)12-25(33(41)45)32(44)40-27-8-4-6-24(29(27)36)23-5-3-7-26(28(23)35)39-31-30-21(9-10-37-31)11-19(13-38-30)15-42-16-22(17-42)34(46)47-2/h3-14,18,22,33,45H,15-17H2,1-2H3,(H,37,39)(H,40,44).

What are the key properties of methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate?

methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate has a molecular weight of 673.56 g/mol, XLogP of 5.16, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 135174019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).