5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile

C19H20N4O — CID 131896286

IUPAC5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(N2CC(Nc3nc(C)c(C)cc3C#N)CC2=O)cc1
InChIInChI=1S/C19H20N4O/c1-12-4-6-17(7-5-12)23-11-16(9-18(23)24)22-19-15(10-20)8-13(2)14(3)21-19/h4-8,16H,9,11H2,1-3H3,(H,21,22)
InChIKeyVVQRBVHQTMCCOE-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.10
Rot. Bonds3

About 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile

5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 131896286) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID131896286
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(N2CC(Nc3nc(C)c(C)cc3C#N)CC2=O)cc1
InChIInChI=1S/C19H20N4O/c1-12-4-6-17(7-5-12)23-11-16(9-18(23)24)22-19-15(10-20)8-13(2)14(3)21-19/h4-8,16H,9,11H2,1-3H3,(H,21,22)
InChIKeyVVQRBVHQTMCCOE-UHFFFAOYSA-N
XLogP3.10
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 82122216
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125159232
4-(4-amino-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168699726
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
3-[[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 122138555
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile (CID 131896286) is 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile is Cc1ccc(N2CC(Nc3nc(C)c(C)cc3C#N)CC2=O)cc1.
What is the InChIKey of 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is VVQRBVHQTMCCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-4-6-17(7-5-12)23-11-16(9-18(23)24)22-19-15(10-20)8-13(2)14(3)21-19/h4-8,16H,9,11H2,1-3H3,(H,21,22).
What are the key properties of 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 131896286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).