3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile

C20H22N4O — CID 99858269

IUPAC3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nc1C#N
InChIInChI=1S/C20H22N4O/c1-15-7-8-19(23-18(15)12-21)22-13-17-11-20(25)24(14-17)10-9-16-5-3-2-4-6-16/h2-8,17H,9-11,13-14H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyZQCVZRNXELIWHF-QGZVFWFLSA-N
MW334.42 g/mol
LogP2.76
Rot. Bonds6

About 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile

3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile (PubChem CID 99858269) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile
PubChem CID99858269
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nc1C#N
InChIInChI=1S/C20H22N4O/c1-15-7-8-19(23-18(15)12-21)22-13-17-11-20(25)24(14-17)10-9-16-5-3-2-4-6-16/h2-8,17H,9-11,13-14H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyZQCVZRNXELIWHF-QGZVFWFLSA-N
XLogP2.76
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-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

4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 133485924
1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
CID 133348967
2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 96540819
1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea
CID 166234843
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
CID 110640225
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 110640246
6-[[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 95712148
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 110640237
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile (CID 99858269) is 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile is Cc1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nc1C#N.
What is the InChIKey of 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile?
The InChIKey is ZQCVZRNXELIWHF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-7-8-19(23-18(15)12-21)22-13-17-11-20(25)24(14-17)10-9-16-5-3-2-4-6-16/h2-8,17H,9-11,13-14H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile?
3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 99858269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).