methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one

C25H18N6O4 — CID 158147845

IUPACmethyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESCOC(=O)c1cccnc1C(=O)c1ccccn1.O=c1[nH]nc(-c2ccccn2)c2ncccc12
InChIInChI=1S/C13H10N2O3.C12H8N4O/c1-18-13(17)9-5-4-8-15-11(9)12(16)10-6-2-3-7-14-10;17-12-8-4-3-7-14-10(8)11(15-16-12)9-5-1-2-6-13-9/h2-8H,1H3;1-7H,(H,16,17)
InChIKeyFUSSWXSEOWYCDM-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.87
Rot. Bonds4

About methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one

methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 158147845) has the molecular formula C25H18N6O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Namemethyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
PubChem CID158147845
Molecular FormulaC25H18N6O4
Molecular Weight466.46 g/mol
Exact Mass466.14
IUPAC Namemethyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESCOC(=O)c1cccnc1C(=O)c1ccccn1.O=c1[nH]nc(-c2ccccn2)c2ncccc12
InChIInChI=1S/C13H10N2O3.C12H8N4O/c1-18-13(17)9-5-4-8-15-11(9)12(16)10-6-2-3-7-14-10;17-12-8-4-3-7-14-10(8)11(15-16-12)9-5-1-2-6-13-9/h2-8H,1H3;1-7H,(H,16,17)
InChIKeyFUSSWXSEOWYCDM-UHFFFAOYSA-N
XLogP2.87
TPSA140.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one with MolForge

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Related Compounds

Methyl 6-(5-methoxycarbonyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate
CID 168331329
Methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate
CID 10814689
Methyl 3-[5-oxo-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoate
CID 19700885
Methyl 2-[4-methoxycarbonyl-6-(4-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]-6-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 22961774
6-(((di-pyridin-2-yl-methyl)-pyridin-2-ylmethyl-amino)-methyl)nicotinic Acid Methyl Ester
CID 59888431
Methyl 2-picolinoylnicotinate
CID 117925708
Ethyl 2-picolinoylnicotinate
CID 117925977
Methyl 3-(3-methoxycarbonylpyridine-2-carbonyl)-2-(3-methoxy-3-oxopropyl)pyridine-4-carboxylate
CID 141611269
Methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate
CID 142098699
Tripyridin-3-ylmethyl 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylate;hydrochloride
CID 142756064
6-(5-Carboxy-2-pyridinyl)pyridine-3-carboxylic acid;methyl 6-(5-acetyl-2-pyridinyl)pyridine-3-carboxylate;thionyl dichloride
CID 157147415
lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate
CID 157274956

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one (CID 158147845) is methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one is COC(=O)c1cccnc1C(=O)c1ccccn1.O=c1[nH]nc(-c2ccccn2)c2ncccc12.
What is the InChIKey of methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is FUSSWXSEOWYCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3.C12H8N4O/c1-18-13(17)9-5-4-8-15-11(9)12(16)10-6-2-3-7-14-10;17-12-8-4-3-7-14-10(8)11(15-16-12)9-5-1-2-6-13-9/h2-8H,1H3;1-7H,(H,16,17).
What are the key properties of methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 466.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 158147845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).