4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile

C20H22N4O — CID 60502637

IUPAC4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2cccc(CN3CCCC3=O)c2)n1
InChIInChI=1S/C20H22N4O/c1-14-9-15(2)23-20(18(14)11-21)22-12-16-5-3-6-17(10-16)13-24-8-4-7-19(24)25/h3,5-6,9-10H,4,7-8,12-13H2,1-2H3,(H,22,23)
InChIKeyPKUDTCXIARVGQX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds5

About 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile

4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 60502637) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID60502637
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2cccc(CN3CCCC3=O)c2)n1
InChIInChI=1S/C20H22N4O/c1-14-9-15(2)23-20(18(14)11-21)22-12-16-5-3-6-17(10-16)13-24-8-4-7-19(24)25/h3,5-6,9-10H,4,7-8,12-13H2,1-2H3,(H,22,23)
InChIKeyPKUDTCXIARVGQX-UHFFFAOYSA-N
XLogP3.30
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 60502137
2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 62500425
2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 78898863
1-[[3-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133436664
1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133283076
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133481959
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one;hydroiodide
CID 110915322
2-[2-(azepan-1-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 61240776
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 86880052

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile (CID 60502637) is 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCc2cccc(CN3CCCC3=O)c2)n1.
What is the InChIKey of 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is PKUDTCXIARVGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-9-15(2)23-20(18(14)11-21)22-12-16-5-3-6-17(10-16)13-24-8-4-7-19(24)25/h3,5-6,9-10H,4,7-8,12-13H2,1-2H3,(H,22,23).
What are the key properties of 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 60502637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).