3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

C19H22FN5O — CID 47021427

IUPAC3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-7-9-26-10-8-25)15-3-5-16(20)6-4-15/h3-6,18H,7-10,12H2,1-2H3,(H,22,24)
InChIKeyGZEIICRLENCVGT-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.59
Rot. Bonds5

About 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 47021427) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID47021427
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-7-9-26-10-8-25)15-3-5-16(20)6-4-15/h3-6,18H,7-10,12H2,1-2H3,(H,22,24)
InChIKeyGZEIICRLENCVGT-UHFFFAOYSA-N
XLogP2.59
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536
3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 52508439
5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
CID 133359909
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
CID 78871346
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile
CID 51079462
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-4-nitrobenzonitrile
CID 133478177
5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
CID 133465938
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 47021427) is 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCC(c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is GZEIICRLENCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-7-9-26-10-8-25)15-3-5-16(20)6-4-15/h3-6,18H,7-10,12H2,1-2H3,(H,22,24).
What are the key properties of 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 355.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 47021427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).