4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile

C18H21N3O — CID 26448932

IUPAC4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1cccc(OCCN(C)c2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H21N3O/c1-13-6-5-7-16(10-13)22-9-8-21(4)18-17(12-19)14(2)11-15(3)20-18/h5-7,10-11H,8-9H2,1-4H3
InChIKeyHSLCKBPVLNBCCI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.39
Rot. Bonds5

About 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile

4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 26448932) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
PubChem CID26448932
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1cccc(OCCN(C)c2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H21N3O/c1-13-6-5-7-16(10-13)22-9-8-21(4)18-17(12-19)14(2)11-15(3)20-18/h5-7,10-11H,8-9H2,1-4H3
InChIKeyHSLCKBPVLNBCCI-UHFFFAOYSA-N
XLogP3.39
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenoxy)ethyl-methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 112772594
N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 78845383
2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 62002636
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489848
4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544504
2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile
CID 72865053
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 26448919
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922
N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 26019686
2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107735200
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile (CID 26448932) is 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile is Cc1cccc(OCCN(C)c2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is HSLCKBPVLNBCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-6-5-7-16(10-13)22-9-8-21(4)18-17(12-19)14(2)11-15(3)20-18/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 26448932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).