methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate

C17H22N4O4 — CID 94820145

IUPACmethyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC[C@H](c2ccc(C)o2)N2CCOCC2)nn1
InChIInChI=1S/C17H22N4O4/c1-12-3-5-15(25-12)14(21-7-9-24-10-8-21)11-18-16-6-4-13(19-20-16)17(22)23-2/h3-6,14H,7-11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyYUTRTOXIDPWSFL-CQSZACIVSA-N
MW346.39 g/mol
LogP1.65
Rot. Bonds6

About methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate

methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate (PubChem CID 94820145) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate
PubChem CID94820145
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Namemethyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC[C@H](c2ccc(C)o2)N2CCOCC2)nn1
InChIInChI=1S/C17H22N4O4/c1-12-3-5-15(25-12)14(21-7-9-24-10-8-21)11-18-16-6-4-13(19-20-16)17(22)23-2/h3-6,14H,7-11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyYUTRTOXIDPWSFL-CQSZACIVSA-N
XLogP1.65
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-5-nitrobenzoate
CID 55533713
methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
CID 120665849
4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxamide
CID 133313540
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 55987367
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrazol-1-ylacetamide
CID 94177106

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate (CID 94820145) is methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC[C@H](c2ccc(C)o2)N2CCOCC2)nn1.
What is the InChIKey of methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate?
The InChIKey is YUTRTOXIDPWSFL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12-3-5-15(25-12)14(21-7-9-24-10-8-21)11-18-16-6-4-13(19-20-16)17(22)23-2/h3-6,14H,7-11H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate?
methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 94820145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).