3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

C14H17N3O — CID 113421128

IUPAC3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)C1CC(=O)N(Cc2cccnc2C#N)C1
InChIInChI=1S/C14H17N3O/c1-10(2)12-6-14(18)17(9-12)8-11-4-3-5-16-13(11)7-15/h3-5,10,12H,6,8-9H2,1-2H3
InChIKeyYCYXTHMHCFUZTB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.96
Rot. Bonds3

About 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 113421128) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID113421128
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)C1CC(=O)N(Cc2cccnc2C#N)C1
InChIInChI=1S/C14H17N3O/c1-10(2)12-6-14(18)17(9-12)8-11-4-3-5-16-13(11)7-15/h3-5,10,12H,6,8-9H2,1-2H3
InChIKeyYCYXTHMHCFUZTB-UHFFFAOYSA-N
XLogP1.96
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5,5-dimethyl-2-oxoazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 65284430
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
CID 63513660
3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 80581155
3-[(2-oxo-1,4-diazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 65362283
3-[(3-methyl-2,6-dioxopiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 66073552
(E)-3-[2-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 104512561
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
2-[3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propoxy]benzonitrile
CID 104511822
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 80581912
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 114593285
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (CID 113421128) is 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is CC(C)C1CC(=O)N(Cc2cccnc2C#N)C1.
What is the InChIKey of 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is YCYXTHMHCFUZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)12-6-14(18)17(9-12)8-11-4-3-5-16-13(11)7-15/h3-5,10,12H,6,8-9H2,1-2H3.
What are the key properties of 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 113421128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).