2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile

C20H26N4 — CID 78898863

IUPAC2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCN(CC)Cc1cccc(CNc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C20H26N4/c1-5-24(6-2)14-18-9-7-8-17(11-18)13-22-20-19(12-21)15(3)10-16(4)23-20/h7-11H,5-6,13-14H2,1-4H3,(H,22,23)
InChIKeyLMHOETIOKYRBFZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.02
Rot. Bonds7

About 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 78898863) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID78898863
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCN(CC)Cc1cccc(CNc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C20H26N4/c1-5-24(6-2)14-18-9-7-8-17(11-18)13-22-20-19(12-21)15(3)10-16(4)23-20/h7-11H,5-6,13-14H2,1-4H3,(H,22,23)
InChIKeyLMHOETIOKYRBFZ-UHFFFAOYSA-N
XLogP4.02
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 78898863) is 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile is CCN(CC)Cc1cccc(CNc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LMHOETIOKYRBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-5-24(6-2)14-18-9-7-8-17(11-18)13-22-20-19(12-21)15(3)10-16(4)23-20/h7-11H,5-6,13-14H2,1-4H3,(H,22,23).
What are the key properties of 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 322.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 78898863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).