ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate

C15H19N3O2 — CID 70548839

IUPACethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NN=C(CC)C1c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-4-11-14(12-8-6-7-9-16-12)13(10(3)17-18-11)15(19)20-5-2/h6-9,14,17H,4-5H2,1-3H3
InChIKeyDEDRHDSJVPADAG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.37
Rot. Bonds4

About ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate

ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate (PubChem CID 70548839) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate
PubChem CID70548839
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NN=C(CC)C1c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-4-11-14(12-8-6-7-9-16-12)13(10(3)17-18-11)15(19)20-5-2/h6-9,14,17H,4-5H2,1-3H3
InChIKeyDEDRHDSJVPADAG-UHFFFAOYSA-N
XLogP2.37
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4R)-6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 6976335
ethyl (4R)-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 721479
(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate
CID 70570530
ethyl (4S,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1268648
ethyl pyridine-2-carboxylate
CID 17307
ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate
CID 124583209
diethyl 4-(2-methoxy-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 51058185
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
ethyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate
CID 15050377
diethyl 2,6-dimethyl-4-(6-methyl-2-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 2729685
prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 56685964
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
The IUPAC name of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate (CID 70548839) is ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
The canonical SMILES for ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate is CCOC(=O)C1=C(C)NN=C(CC)C1c1ccccn1.
What is the InChIKey of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
The InChIKey is DEDRHDSJVPADAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11-14(12-8-6-7-9-16-12)13(10(3)17-18-11)15(19)20-5-2/h6-9,14,17H,4-5H2,1-3H3.
What are the key properties of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate is sourced from PubChem (CID 70548839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).