4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile

C21H26N4O — CID 78871346

IUPAC4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
SMILESCc1cccc(C(CNc2nc(C)cc(C)c2C#N)N2CCOCC2)c1
InChIInChI=1S/C21H26N4O/c1-15-5-4-6-18(11-15)20(25-7-9-26-10-8-25)14-23-21-19(13-22)16(2)12-17(3)24-21/h4-6,11-12,20H,7-10,14H2,1-3H3,(H,23,24)
InChIKeyLUNBVJHGXZEGRZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.36
Rot. Bonds5

About 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile

4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile (PubChem CID 78871346) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
PubChem CID78871346
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
SMILESCc1cccc(C(CNc2nc(C)cc(C)c2C#N)N2CCOCC2)c1
InChIInChI=1S/C21H26N4O/c1-15-5-4-6-18(11-15)20(25-7-9-26-10-8-25)14-23-21-19(13-22)16(2)12-17(3)24-21/h4-6,11-12,20H,7-10,14H2,1-3H3,(H,23,24)
InChIKeyLUNBVJHGXZEGRZ-UHFFFAOYSA-N
XLogP3.36
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 52508439
5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536
3-[[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 38071417
6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
CID 122047741
3-[[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 47030764
4,6-dimethyl-2-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 60965079
N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 36835462
5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97210458
5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
CID 133359909
4,6-dimethyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 62992143
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile (CID 78871346) is 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile is Cc1cccc(C(CNc2nc(C)cc(C)c2C#N)N2CCOCC2)c1.
What is the InChIKey of 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
The InChIKey is LUNBVJHGXZEGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-5-4-6-18(11-15)20(25-7-9-26-10-8-25)14-23-21-19(13-22)16(2)12-17(3)24-21/h4-6,11-12,20H,7-10,14H2,1-3H3,(H,23,24).
What are the key properties of 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 78871346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).