(4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C35H38FN7O5 — CID 138719557

About (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

(4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 138719557) has the molecular formula C35H38FN7O5 and a molecular weight of 655.73 g/mol. Its IUPAC name is (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

• Compound Name: (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
• PubChem CID: 138719557
• Molecular Formula: C35H38FN7O5
• Molecular Weight: 655.73 g/mol
• Exact Mass: 655.29
• IUPAC Name: (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
• SMILES: CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC=O)cc3)CC4)cc2N=C(N)C1
• InChI: InChI=1S/C35H38FN7O5/c1-3-10-42(11-4-2)34(46)24-13-23-15-29(36)28(17-31(23)41-32(37)16-24)33(45)40-27-14-25-19-43(12-9-30(25)38-18-27)35(47)48-20-22-5-7-26(8-6-22)39-21-44/h5-8,13-15,17-18,21H,3-4,9-12,16,19-20H2,1-2H3,(H2,37,41)(H,39,44)(H,40,45)
• InChIKey: HHALGGAWZWWNHX-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 159.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.73
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?

The IUPAC name of (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 138719557) is (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

What is the SMILES notation for (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?

The canonical SMILES for (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC=O)cc3)CC4)cc2N=C(N)C1.

What is the InChIKey of (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?

The InChIKey is HHALGGAWZWWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FN7O5/c1-3-10-42(11-4-2)34(46)24-13-23-15-29(36)28(17-31(23)41-32(37)16-24)33(45)40-27-14-25-19-43(12-9-30(25)38-18-27)35(47)48-20-22-5-7-26(8-6-22)39-21-44/h5-8,13-15,17-18,21H,3-4,9-12,16,19-20H2,1-2H3,(H2,37,41)(H,39,44)(H,40,45).

What are the key properties of (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?

(4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 655.73 g/mol, XLogP of 5.16, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 138719557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).