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

C33H43N9O12 — CID 134313672

IUPAC2-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
SMILESNCCCN(CCCCN(CCCNC(=O)c1ccc(C(=O)N[C@@H]2COC[C@@H]2NO)c(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O
InChIInChI=1S/C33H43N9O12/c34-13-5-17-38(32(48)25-7-3-9-27(43)40(25)51)15-1-2-16-39(33(49)26-8-4-10-28(44)41(26)52)18-6-14-35-30(46)24-12-11-21(31(47)42(24)53)29(45)36-22-19-54-20-23(22)37-50/h3-4,7-12,22-23,37,50-53H,1-2,5-6,13-20,34H2,(H,35,46)(H,36,45)/t22-,23+/m1/s1
InChIKeyULAZFCHHQFNFQC-PKTZIBPZSA-N
MW757.76 g/mol
LogP-2.11
Rot. Bonds18

About 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

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 (PubChem CID 134313672) has the molecular formula C33H43N9O12 and a molecular weight of 757.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID134313672
Molecular FormulaC33H43N9O12
Molecular Weight757.76 g/mol
Exact Mass757.30
IUPAC Name2-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
SMILESNCCCN(CCCCN(CCCNC(=O)c1ccc(C(=O)N[C@@H]2COC[C@@H]2NO)c(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O
InChIInChI=1S/C33H43N9O12/c34-13-5-17-38(32(48)25-7-3-9-27(43)40(25)51)15-1-2-16-39(33(49)26-8-4-10-28(44)41(26)52)18-6-14-35-30(46)24-12-11-21(31(47)42(24)53)29(45)36-22-19-54-20-23(22)37-50/h3-4,7-12,22-23,37,50-53H,1-2,5-6,13-20,34H2,(H,35,46)(H,36,45)/t22-,23+/m1/s1
InChIKeyULAZFCHHQFNFQC-PKTZIBPZSA-N
XLogP-2.11
TPSA293.02 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.76
LogP ≤ 5-2.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
CID 162862869
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-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide
CID 163268811
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
2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)pyridine-2,6-dicarboxamide
CID 67393235
N,N-bis(6-aminohexyl)benzamide
CID 68737596
4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
CID 66238525

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NCCCN(CCCCN(CCCNC(=O)c1ccc(C(=O)N[C@@H]2COC[C@@H]2NO)c(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O.
What is the InChIKey of 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?
The InChIKey is ULAZFCHHQFNFQC-PKTZIBPZSA-N. The full InChI is InChI=1S/C33H43N9O12/c34-13-5-17-38(32(48)25-7-3-9-27(43)40(25)51)15-1-2-16-39(33(49)26-8-4-10-28(44)41(26)52)18-6-14-35-30(46)24-12-11-21(31(47)42(24)53)29(45)36-22-19-54-20-23(22)37-50/h3-4,7-12,22-23,37,50-53H,1-2,5-6,13-20,34H2,(H,35,46)(H,36,45)/t22-,23+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 757.76 g/mol, XLogP of -2.11, 18 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134313672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).