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

C25H29N7O7 — CID 89095996

IUPAC1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide
SMILESC=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)[nH]1
InChIInChI=1S/C25H29N7O7/c1-17(18-5-2-8-21(33)29-18)26-11-14-30(15-12-27-24(36)19-6-3-9-22(34)31(19)38)16-13-28-25(37)20-7-4-10-23(35)32(20)39/h2-10,26,38-39H,1,11-16H2,(H,27,36)(H,28,37)(H,29,33)
InChIKeyJKDNAIKOCWVGOI-UHFFFAOYSA-N
MW539.55 g/mol
LogP-1.10
Rot. Bonds13

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

1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide (PubChem CID 89095996) has the molecular formula C25H29N7O7 and a molecular weight of 539.55 g/mol. Its IUPAC name is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)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-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide
PubChem CID89095996
Molecular FormulaC25H29N7O7
Molecular Weight539.55 g/mol
Exact Mass539.21
IUPAC Name1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide
SMILESC=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)[nH]1
InChIInChI=1S/C25H29N7O7/c1-17(18-5-2-8-21(33)29-18)26-11-14-30(15-12-27-24(36)19-6-3-9-22(34)31(19)38)16-13-28-25(37)20-7-4-10-23(35)32(20)39/h2-10,26,38-39H,1,11-16H2,(H,27,36)(H,28,37)(H,29,33)
InChIKeyJKDNAIKOCWVGOI-UHFFFAOYSA-N
XLogP-1.10
TPSA190.79 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500539.55
LogP ≤ 5-1.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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-(6-oxo-1H-pyridin-2-yl)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-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide (CID 89095996) is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)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-(6-oxo-1H-pyridin-2-yl)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-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide is C=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)[nH]1.
What is the InChIKey of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide?
The InChIKey is JKDNAIKOCWVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O7/c1-17(18-5-2-8-21(33)29-18)26-11-14-30(15-12-27-24(36)19-6-3-9-22(34)31(19)38)16-13-28-25(37)20-7-4-10-23(35)32(20)39/h2-10,26,38-39H,1,11-16H2,(H,27,36)(H,28,37)(H,29,33).
What are the key properties of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl-[2-[1-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide has a molecular weight of 539.55 g/mol, XLogP of -1.10, 13 rotatable bonds, 6 hydrogen bond donors, and 11 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-(6-oxo-1H-pyridin-2-yl)ethenylamino]ethyl]amino]ethyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 89095996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).