5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide

C17H15N3O4 — CID 16729179

IUPAC5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide
SMILESCc1cc(O)c2c(c1)C(=O)C=CC2=O.NNC(=O)c1ccncc1
InChIInChI=1S/C11H8O3.C6H7N3O/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6;7-9-6(10)5-1-3-8-4-2-5/h2-5,14H,1H3;1-4H,7H2,(H,9,10)
InChIKeyKCSADLYYQPNTHK-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.32
Rot. Bonds1

About 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide

5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide (PubChem CID 16729179) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide.

Molecular Properties

Compound Name5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide
PubChem CID16729179
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide
SMILESCc1cc(O)c2c(c1)C(=O)C=CC2=O.NNC(=O)c1ccncc1
InChIInChI=1S/C11H8O3.C6H7N3O/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6;7-9-6(10)5-1-3-8-4-2-5/h2-5,14H,1H3;1-4H,7H2,(H,9,10)
InChIKeyKCSADLYYQPNTHK-UHFFFAOYSA-N
XLogP1.32
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(e)-n'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide
CID 135400486
2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone
CID 135408575
N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
CID 4491
3-Hydroxy-N-(pyridin-4-yl)naphthalene-2-carboxamide
CID 24684670
3-Hydroxy-naphthalene-2-carboxylic acid (1-methyl-1H-pyrrol-2-ylmethylene)-hydrazide
CID 9556583
N'-(1-(1-hydroxy-2-naphthyl)ethylidene)isonicotinohydrazide
CID 243849
5-Hydroxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-naphthalen-1-one
CID 15072948
N'-[1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-carbohydrazide
CID 135408622
4-[(3-Hydroxy-4-pyridin-3-yl-benzylamino)-methylene]-6-iodo-4H-isoquinoline-1,3-dione
CID 135875619
1-hydroxy-N'-(3-pyridinylmethylene)-2-naphthohydrazide
CID 6875206
3-hydroxy-N'-(3-pyridinylmethylene)-2-naphthohydrazide
CID 6894115
2-Hydroxy-5-(pyridin-4-yl)benzamide
CID 135909516

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide?
The IUPAC name of 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide (CID 16729179) is 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide.
What is the SMILES notation for 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide?
The canonical SMILES for 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide is Cc1cc(O)c2c(c1)C(=O)C=CC2=O.NNC(=O)c1ccncc1.
What is the InChIKey of 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide?
The InChIKey is KCSADLYYQPNTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3.C6H7N3O/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6;7-9-6(10)5-1-3-8-4-2-5/h2-5,14H,1H3;1-4H,7H2,(H,9,10).
What are the key properties of 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide?
5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide has a molecular weight of 325.32 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methylnaphthalene-1,4-dione;pyridine-4-carbohydrazide is sourced from PubChem (CID 16729179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).