hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one

C25H22N8O4 — CID 157494283

IUPAChydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
SMILESCOC(=O)c1ncccc1C(=O)c1ccccn1.NN.O=c1[nH]nc(-c2ccccn2)c2cccnc12
InChIInChI=1S/C13H10N2O3.C12H8N4O.H4N2/c1-18-13(17)11-9(5-4-8-15-11)12(16)10-6-2-3-7-14-10;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;1-2/h2-8H,1H3;1-7H,(H,16,17);1-2H2
InChIKeyBXQHFZWVEMBDDY-UHFFFAOYSA-N
MW498.50 g/mol
LogP1.69
Rot. Bonds4

About hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one

hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 157494283) has the molecular formula C25H22N8O4 and a molecular weight of 498.50 g/mol. Its IUPAC name is hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Namehydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
PubChem CID157494283
Molecular FormulaC25H22N8O4
Molecular Weight498.50 g/mol
Exact Mass498.18
IUPAC Namehydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
SMILESCOC(=O)c1ncccc1C(=O)c1ccccn1.NN.O=c1[nH]nc(-c2ccccn2)c2cccnc12
InChIInChI=1S/C13H10N2O3.C12H8N4O.H4N2/c1-18-13(17)11-9(5-4-8-15-11)12(16)10-6-2-3-7-14-10;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;1-2/h2-8H,1H3;1-7H,(H,16,17);1-2H2
InChIKeyBXQHFZWVEMBDDY-UHFFFAOYSA-N
XLogP1.69
TPSA192.72 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.50
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Methyl 6-(5-methoxycarbonyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate
CID 168331329
lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate
CID 157274956
Potassium;6-(5-carboxy-2-pyridinyl)pyridazine-3-carboxylic acid;ethyl 6-(6-acetylpyridazin-3-yl)pyridine-3-carboxylate;methane;hydroxide
CID 157637923
Methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid
CID 157838715
Cyclohexylmethanamine;6-cyclohexyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;ethyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;hydrochloride
CID 157841578
Benzylhydrazine;6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate
CID 157949682
Acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate
CID 158041497
methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
CID 158147845
lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
CID 158362034
lithium;diethyl pyridine-2,3-dicarboxylate;ethyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;ethyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;oxolane;2H-pyridin-2-ide
CID 158991256
N,N-diethyl-3-(pyridine-2-carbonyl)pyridine-2-carboxamide;N,N-diethylpyridine-2-carboxamide;hydrazine;pyridine-2-carboxylic acid;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
CID 159346576
Potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide
CID 159523055

Frequently Asked Questions

What is the IUPAC name of hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one (CID 157494283) is hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one is COC(=O)c1ncccc1C(=O)c1ccccn1.NN.O=c1[nH]nc(-c2ccccn2)c2cccnc12.
What is the InChIKey of hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is BXQHFZWVEMBDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3.C12H8N4O.H4N2/c1-18-13(17)11-9(5-4-8-15-11)12(16)10-6-2-3-7-14-10;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;1-2/h2-8H,1H3;1-7H,(H,16,17);1-2H2.
What are the key properties of hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 498.50 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 157494283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).