1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide

C28H35N7O8 — CID 59148974

About 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide

1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide (PubChem CID 59148974) has the molecular formula C28H35N7O8 and a molecular weight of 597.63 g/mol. Its IUPAC name is 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide
• PubChem CID: 59148974
• Molecular Formula: C28H35N7O8
• Molecular Weight: 597.63 g/mol
• Exact Mass: 597.25
• IUPAC Name: 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide
• SMILES: C=C(NCCCN(CCCNC(=O)c1cccc(=O)n1O)CCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
• InChI: InChI=1S/C28H35N7O8/c1-20(21-8-2-11-24(36)33(21)41)29-14-5-17-32(18-6-15-30-27(39)22-9-3-12-25(37)34(22)42)19-7-16-31-28(40)23-10-4-13-26(38)35(23)43/h2-4,8-13,29,41-43H,1,5-7,14-19H2,(H,30,39)(H,31,40)
• InChIKey: OJIDFMFAAQWTMB-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 200.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	597.63
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide?

The IUPAC name of 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide (CID 59148974) is 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide.

What is the SMILES notation for 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide?

The canonical SMILES for 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide is C=C(NCCCN(CCCNC(=O)c1cccc(=O)n1O)CCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.

What is the InChIKey of 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide?

The InChIKey is OJIDFMFAAQWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O8/c1-20(21-8-2-11-24(36)33(21)41)29-14-5-17-32(18-6-15-30-27(39)22-9-3-12-25(37)34(22)42)19-7-16-31-28(40)23-10-4-13-26(38)35(23)43/h2-4,8-13,29,41-43H,1,5-7,14-19H2,(H,30,39)(H,31,40).

What are the key properties of 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide?

1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide has a molecular weight of 597.63 g/mol, XLogP of -0.22, 16 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 59148974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).