N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide

C27H27N5O6 — CID 132961626

IUPACN-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)NCCCCCCNC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cn1
InChIInChI=1S/C27H27N5O6/c28-32-21-9-8-15(14-31-21)26(37)29-10-3-1-2-4-11-30-27(38)16-12-18-23(20(34)13-16)25(36)22-17(24(18)35)6-5-7-19(22)33/h5-9,12-14,33-34H,1-4,10-11,28H2,(H,29,37)(H,30,38)(H,31,32)
InChIKeyHGIUBYIFCZVROP-UHFFFAOYSA-N
MW517.54 g/mol
LogP2.27
Rot. Bonds10

About N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide

N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide (PubChem CID 132961626) has the molecular formula C27H27N5O6 and a molecular weight of 517.54 g/mol. Its IUPAC name is N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide
PubChem CID132961626
Molecular FormulaC27H27N5O6
Molecular Weight517.54 g/mol
Exact Mass517.20
IUPAC NameN-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)NCCCCCCNC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cn1
InChIInChI=1S/C27H27N5O6/c28-32-21-9-8-15(14-31-21)26(37)29-10-3-1-2-4-11-30-27(38)16-12-18-23(20(34)13-16)25(36)22-17(24(18)35)6-5-7-19(22)33/h5-9,12-14,33-34H,1-4,10-11,28H2,(H,29,37)(H,30,38)(H,31,32)
InChIKeyHGIUBYIFCZVROP-UHFFFAOYSA-N
XLogP2.27
TPSA183.74 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 52.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide with MolForge

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Related Compounds

tert-butyl N-[6-(4,5-dihydroxy-9,10-dioxoanthracen-2-yl)-6-oxohexyl]carbamate
CID 161440852
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62236916
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
4,5-dihydroxy-N-[3-[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-4-yl]propyl]-9,10-dioxoanthracene-2-carboxamide bromide
CID 175336365
N-[9-(4-aminobutylamino)nonyl]-9,10-dioxoanthracene-2-carboxamide
CID 148523711
N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride
CID 162324294
N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62237222
ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
CID 60521776
2-(2-hydroxyethoxy)ethyl 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylate
CID 70686583
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050
6-hydrazinyl-N-(6-hydroxy-2,2-dimethylhexyl)pyridine-3-carboxamide
CID 91459914

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide (CID 132961626) is N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide is NNc1ccc(C(=O)NCCCCCCNC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cn1.
What is the InChIKey of N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is HGIUBYIFCZVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O6/c28-32-21-9-8-15(14-31-21)26(37)29-10-3-1-2-4-11-30-27(38)16-12-18-23(20(34)13-16)25(36)22-17(24(18)35)6-5-7-19(22)33/h5-9,12-14,33-34H,1-4,10-11,28H2,(H,29,37)(H,30,38)(H,31,32).
What are the key properties of N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide?
N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 517.54 g/mol, XLogP of 2.27, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]hexyl]-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 132961626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).