1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide

C16H19N5O6 — CID 70913988

IUPAC1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCNCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C16H19N5O6/c22-13-5-1-3-11(20(13)26)15(24)18-9-7-17-8-10-19-16(25)12-4-2-6-14(23)21(12)27/h1-6,17,26-27H,7-10H2,(H,18,24)(H,19,25)
InChIKeyDFKPRFSBADIBRW-UHFFFAOYSA-N
MW377.36 g/mol
LogP-1.77
Rot. Bonds8

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

1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide (PubChem CID 70913988) has the molecular formula C16H19N5O6 and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide
PubChem CID70913988
Molecular FormulaC16H19N5O6
Molecular Weight377.36 g/mol
Exact Mass377.13
IUPAC Name1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCNCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C16H19N5O6/c22-13-5-1-3-11(20(13)26)15(24)18-9-7-17-8-10-19-16(25)12-4-2-6-14(23)21(12)27/h1-6,17,26-27H,7-10H2,(H,18,24)(H,19,25)
InChIKeyDFKPRFSBADIBRW-UHFFFAOYSA-N
XLogP-1.77
TPSA154.69 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 5-1.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 170995389
N-[(5S)-6-[3-[[(2S)-2,6-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]hexanoyl]amino]propylamino]-5-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-6-oxohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 102300785
N-(3-aminopropyl)-1-hydroxy-6-oxopyridine-2-carboxamide;2,2-bis(aminomethyl)propane-1,3-diamine;1-hydroxy-6-oxopyridine-2-carboxylic acid
CID 160815095
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100628
5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
CID 120525358
methyl 4-[2,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]pentanoylamino]butanoate
CID 121438544
N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide
CID 163268811
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
2-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-5-N-[(3S,4R)-4-(hydroxyamino)oxolan-3-yl]-6-oxopyridine-2,5-dicarboxamide
CID 134313672

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide (CID 70913988) is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide is O=C(NCCNCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.
What is the InChIKey of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide?
The InChIKey is DFKPRFSBADIBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O6/c22-13-5-1-3-11(20(13)26)15(24)18-9-7-17-8-10-19-16(25)12-4-2-6-14(23)21(12)27/h1-6,17,26-27H,7-10H2,(H,18,24)(H,19,25).
What are the key properties of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide has a molecular weight of 377.36 g/mol, XLogP of -1.77, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 70913988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).