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

C25H29N7O8 — CID 89302030

IUPAC1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide
SMILESC=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C25H29N7O8/c1-17(18-5-2-8-21(33)30(18)38)26-11-14-29(15-12-27-24(36)19-6-3-9-22(34)31(19)39)16-13-28-25(37)20-7-4-10-23(35)32(20)40/h2-10,26,38-40H,1,11-16H2,(H,27,36)(H,28,37)
InChIKeyZJJVTUFWBQZQHG-UHFFFAOYSA-N
MW555.55 g/mol
LogP-1.39
Rot. Bonds13

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

1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide (PubChem CID 89302030) has the molecular formula C25H29N7O8 and a molecular weight of 555.55 g/mol. Its IUPAC name is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide
PubChem CID89302030
Molecular FormulaC25H29N7O8
Molecular Weight555.55 g/mol
Exact Mass555.21
IUPAC Name1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide
SMILESC=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C25H29N7O8/c1-17(18-5-2-8-21(33)30(18)38)26-11-14-29(15-12-27-24(36)19-6-3-9-22(34)31(19)39)16-13-28-25(37)20-7-4-10-23(35)32(20)40/h2-10,26,38-40H,1,11-16H2,(H,27,36)(H,28,37)
InChIKeyZJJVTUFWBQZQHG-UHFFFAOYSA-N
XLogP-1.39
TPSA200.16 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500555.55
LogP ≤ 5-1.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide (CID 89302030) is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide is C=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.
What is the InChIKey of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide?
The InChIKey is ZJJVTUFWBQZQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O8/c1-17(18-5-2-8-21(33)30(18)38)26-11-14-29(15-12-27-24(36)19-6-3-9-22(34)31(19)39)16-13-28-25(37)20-7-4-10-23(35)32(20)40/h2-10,26,38-40H,1,11-16H2,(H,27,36)(H,28,37).
What are the key properties of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide has a molecular weight of 555.55 g/mol, XLogP of -1.39, 13 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 89302030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).