(Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium

C24H34N7O+ — CID 142054826

About (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium

(Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium (PubChem CID 142054826) has the molecular formula C24H34N7O+ and a molecular weight of 436.58 g/mol. Its IUPAC name is (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium.

Molecular Properties

• Compound Name: (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium
• PubChem CID: 142054826
• Molecular Formula: C24H34N7O+
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.28
• IUPAC Name: (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium
• SMILES: N/[NH+]=C(\N)CC1CCN(C(=O)NCCCc2ccc3c(n2)NCCC3)Cc2ccccc21
• InChI: InChI=1S/C24H33N7O/c25-22(30-26)15-18-11-14-31(16-19-5-1-2-8-21(18)19)24(32)28-13-4-7-20-10-9-17-6-3-12-27-23(17)29-20/h1-2,5,8-10,18H,3-4,6-7,11-16,26H2,(H2,25,30)(H,27,29)(H,28,32)/p+1
• InChIKey: BYGFHBCJTJLFOF-UHFFFAOYSA-O
• XLogP: 0.77
• TPSA: 123.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium?

The IUPAC name of (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium (CID 142054826) is (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium.

What is the SMILES notation for (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium?

The canonical SMILES for (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium is N/[NH+]=C(\N)CC1CCN(C(=O)NCCCc2ccc3c(n2)NCCC3)Cc2ccccc21.

What is the InChIKey of (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium?

The InChIKey is BYGFHBCJTJLFOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N7O/c25-22(30-26)15-18-11-14-31(16-19-5-1-2-8-21(18)19)24(32)28-13-4-7-20-10-9-17-6-3-12-27-23(17)29-20/h1-2,5,8-10,18H,3-4,6-7,11-16,26H2,(H2,25,30)(H,27,29)(H,28,32)/p+1.

What are the key properties of (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium?

(Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium has a molecular weight of 436.58 g/mol, XLogP of 0.77, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-amino-[1-amino-2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethylidene]azanium is sourced from PubChem (CID 142054826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).