1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide

C34H39N8O12+ — CID 91826036

IUPAC1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCCN(CCCCN(CCCNC(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)C1=[N+](O)C(=O)CC=C1)c1cccc(=O)n1O
InChIInChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-15,51-53H,1-2,7-8,16-22H2,(H2-,35,36,47,48,50,54)/p+1
InChIKeyCXBZXDYEFDJKQA-UHFFFAOYSA-O
MW751.73 g/mol
LogP-1.10
Rot. Bonds17

About 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide

1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide (PubChem CID 91826036) has the molecular formula C34H39N8O12+ and a molecular weight of 751.73 g/mol. Its IUPAC name is 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide
PubChem CID91826036
Molecular FormulaC34H39N8O12+
Molecular Weight751.73 g/mol
Exact Mass751.27
IUPAC Name1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCCN(CCCCN(CCCNC(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)C1=[N+](O)C(=O)CC=C1)c1cccc(=O)n1O
InChIInChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-15,51-53H,1-2,7-8,16-22H2,(H2-,35,36,47,48,50,54)/p+1
InChIKeyCXBZXDYEFDJKQA-UHFFFAOYSA-O
XLogP-1.10
TPSA265.82 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500751.73
LogP ≤ 5-1.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide
CID 70913988
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-[(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
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
5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
CID 120525358
1-hydroxy-N-[4-[(6-hydroxy-5-oxocyclohexa-1,3-diene-1-carbonyl)-[3-[(6-hydroxy-5-oxocyclohexa-1,3-diene-1-carbonyl)-propan-2-ylamino]propyl]amino]butyl]-6-oxo-N-[3-[(2-oxo-1H-quinolin-1-ium-8-yl)amino]propyl]pyridine-2-carboxamide
CID 163478203
N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide
CID 163268811
2-N-methyl-5-N-[(3R,4S)-4-[[6-[3-[4-[methyl-(6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]butyl-(6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]propylcarbamoyl]-2-oxo-1-phenylmethoxypyridine-3-carbonyl]amino]oxolan-3-yl]-6-oxo-1-phenylmethoxypyridine-2,5-dicarboxamide
CID 155445612
N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
CID 162862869
N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide
CID 158191064

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide (CID 91826036) is 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide is O=C(NCCCN(CCCCN(CCCNC(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)C1=[N+](O)C(=O)CC=C1)c1cccc(=O)n1O.
What is the InChIKey of 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide?
The InChIKey is CXBZXDYEFDJKQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-15,51-53H,1-2,7-8,16-22H2,(H2-,35,36,47,48,50,54)/p+1.
What are the key properties of 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide has a molecular weight of 751.73 g/mol, XLogP of -1.10, 17 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[3-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl-(1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carbonyl)amino]propyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 91826036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).