5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide

C35H50N10O10 — CID 139477174

IUPAC5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide
SMILESNCCCC[C@@H](CN)NC(=O)c1ccc(C(=O)NCCCN(CCCCN(CCCN)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O
InChIInChI=1S/C35H50N10O10/c36-16-2-1-9-24(23-38)40-32(49)26-15-14-25(33(50)45(26)55)31(48)39-18-8-22-42(35(52)28-11-6-13-30(47)44(28)54)20-4-3-19-41(21-7-17-37)34(51)27-10-5-12-29(46)43(27)53/h5-6,10-15,24,53-55H,1-4,7-9,16-23,36-38H2,(H,39,48)(H,40,49)/t24-/m0/s1
InChIKeyYEGRKGOBIDYFDO-DEOSSOPVSA-N
MW770.85 g/mol
LogP-1.40
Rot. Bonds22

About 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide

5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide (PubChem CID 139477174) has the molecular formula C35H50N10O10 and a molecular weight of 770.85 g/mol. Its IUPAC name is 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide
PubChem CID139477174
Molecular FormulaC35H50N10O10
Molecular Weight770.85 g/mol
Exact Mass770.37
IUPAC Name5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide
SMILESNCCCC[C@@H](CN)NC(=O)c1ccc(C(=O)NCCCN(CCCCN(CCCN)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O
InChIInChI=1S/C35H50N10O10/c36-16-2-1-9-24(23-38)40-32(49)26-15-14-25(33(50)45(26)55)31(48)39-18-8-22-42(35(52)28-11-6-13-30(47)44(28)54)20-4-3-19-41(21-7-17-37)34(51)27-10-5-12-29(46)43(27)53/h5-6,10-15,24,53-55H,1-4,7-9,16-23,36-38H2,(H,39,48)(H,40,49)/t24-/m0/s1
InChIKeyYEGRKGOBIDYFDO-DEOSSOPVSA-N
XLogP-1.40
TPSA303.57 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.85
LogP ≤ 5-1.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide (CID 139477174) is 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide is NCCCC[C@@H](CN)NC(=O)c1ccc(C(=O)NCCCN(CCCCN(CCCN)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O.
What is the InChIKey of 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide?
The InChIKey is YEGRKGOBIDYFDO-DEOSSOPVSA-N. The full InChI is InChI=1S/C35H50N10O10/c36-16-2-1-9-24(23-38)40-32(49)26-15-14-25(33(50)45(26)55)31(48)39-18-8-22-42(35(52)28-11-6-13-30(47)44(28)54)20-4-3-19-41(21-7-17-37)34(51)27-10-5-12-29(46)43(27)53/h5-6,10-15,24,53-55H,1-4,7-9,16-23,36-38H2,(H,39,48)(H,40,49)/t24-/m0/s1.
What are the key properties of 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide?
5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide has a molecular weight of 770.85 g/mol, XLogP of -1.40, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-[4-[3-aminopropyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]butyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-2-N-[(2S)-1,6-diaminohexan-2-yl]-1-hydroxy-6-oxopyridine-2,5-dicarboxamide is sourced from PubChem (CID 139477174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).