5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile

C22H29N5O — CID 133359909

IUPAC5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(c2ccc(C)cc2)N2CCOCC2)c(C#N)c1CC
InChIInChI=1S/C22H29N5O/c1-4-18-19(14-23)22(26-25-20(18)5-2)24-15-21(27-10-12-28-13-11-27)17-8-6-16(3)7-9-17/h6-9,21H,4-5,10-13,15H2,1-3H3,(H,24,26)
InChIKeyLSNCAYUDCSINJI-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.27
Rot. Bonds7

About 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile (PubChem CID 133359909) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
PubChem CID133359909
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(c2ccc(C)cc2)N2CCOCC2)c(C#N)c1CC
InChIInChI=1S/C22H29N5O/c1-4-18-19(14-23)22(26-25-20(18)5-2)24-15-21(27-10-12-28-13-11-27)17-8-6-16(3)7-9-17/h6-9,21H,4-5,10-13,15H2,1-3H3,(H,24,26)
InChIKeyLSNCAYUDCSINJI-UHFFFAOYSA-N
XLogP3.27
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile with MolForge

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Related Compounds

5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
CID 133375206
3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 52508439
2-(4-methylphenyl)-5-[[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35180679
4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
CID 78871346
2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 56726033
5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile
CID 80502013
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844664
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile (CID 133359909) is 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile is CCc1nnc(NCC(c2ccc(C)cc2)N2CCOCC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile?
The InChIKey is LSNCAYUDCSINJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-4-18-19(14-23)22(26-25-20(18)5-2)24-15-21(27-10-12-28-13-11-27)17-8-6-16(3)7-9-17/h6-9,21H,4-5,10-13,15H2,1-3H3,(H,24,26).
What are the key properties of 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile has a molecular weight of 379.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133359909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).