pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

C17H15N3O3 — CID 9465512

IUPACpyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(OCc1ccccn1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H15N3O3/c21-16-10-9-15(19-20(16)14-7-2-1-3-8-14)17(22)23-12-13-6-4-5-11-18-13/h1-8,11H,9-10,12H2
InChIKeyVFESTLRISBBDMU-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.31
Rot. Bonds4

About pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 9465512) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID9465512
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namepyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(OCc1ccccn1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H15N3O3/c21-16-10-9-15(19-20(16)14-7-2-1-3-8-14)17(22)23-12-13-6-4-5-11-18-13/h1-8,11H,9-10,12H2
InChIKeyVFESTLRISBBDMU-UHFFFAOYSA-N
XLogP2.31
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55355841
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 42981226
[2-oxo-2-(4-phenoxyanilino)ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 5176925
(4-propoxyphenyl) 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 7747669
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18201945
pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate
CID 11108080
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 3890210
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 39603103
(2-chloro-3-pyridinyl)methyl 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 56528269
6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
CID 3707613
[2-(2-nitroanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 29170468
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55355821

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 9465512) is pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is O=C(OCc1ccccn1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is VFESTLRISBBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16-10-9-15(19-20(16)14-7-2-1-3-8-14)17(22)23-12-13-6-4-5-11-18-13/h1-8,11H,9-10,12H2.
What are the key properties of pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 9465512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).