3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C30H38N6O6 — CID 143467857

About 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 143467857) has the molecular formula C30H38N6O6 and a molecular weight of 578.67 g/mol. Its IUPAC name is 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
• PubChem CID: 143467857
• Molecular Formula: C30H38N6O6
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.29
• IUPAC Name: 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
• SMILES: N/C=C\N(N)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCOCC2)c2ccccc12
• InChI: InChI=1S/C30H38N6O6/c31-11-12-36(32)20-22-5-6-25(24-4-2-1-3-23(22)24)29(38)34-26-7-8-27(42-18-17-41-16-13-37)35-28(26)30(39)33-19-21-9-14-40-15-10-21/h1-8,11-12,21,37H,9-10,13-20,31-32H2,(H,33,39)(H,34,38)/b12-11-
• InChIKey: KXWIGERZOUMDFH-QXMHVHEDSA-N
• XLogP: 2.14
• TPSA: 174.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?

The IUPAC name of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 143467857) is 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

What is the SMILES notation for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?

The canonical SMILES for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is N/C=C\N(N)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCOCC2)c2ccccc12.

What is the InChIKey of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?

The InChIKey is KXWIGERZOUMDFH-QXMHVHEDSA-N. The full InChI is InChI=1S/C30H38N6O6/c31-11-12-36(32)20-22-5-6-25(24-4-2-1-3-23(22)24)29(38)34-26-7-8-27(42-18-17-41-16-13-37)35-28(26)30(39)33-19-21-9-14-40-15-10-21/h1-8,11-12,21,37H,9-10,13-20,31-32H2,(H,33,39)(H,34,38)/b12-11-.

What are the key properties of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?

3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 578.67 g/mol, XLogP of 2.14, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 143467857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).