6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile

C11H12N4O — CID 103680905

IUPAC6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2cccc(C#N)n2)C1=O
InChIInChI=1S/C11H12N4O/c1-15-6-5-9(11(15)16)14-10-4-2-3-8(7-12)13-10/h2-4,9H,5-6H2,1H3,(H,13,14)
InChIKeyMXMARFRJDCWEMG-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.60
Rot. Bonds2

About 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile

6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 103680905) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
PubChem CID103680905
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2cccc(C#N)n2)C1=O
InChIInChI=1S/C11H12N4O/c1-15-6-5-9(11(15)16)14-10-4-2-3-8(7-12)13-10/h2-4,9H,5-6H2,1H3,(H,13,14)
InChIKeyMXMARFRJDCWEMG-UHFFFAOYSA-N
XLogP0.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 106256187
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253
3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 45229761
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
6-[[(1R,2R)-2-methylcyclopropyl]amino]pyridine-2-carbonitrile
CID 126987207
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 64587165
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile (CID 103680905) is 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile is CN1CCC(Nc2cccc(C#N)n2)C1=O.
What is the InChIKey of 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is MXMARFRJDCWEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-6-5-9(11(15)16)14-10-4-2-3-8(7-12)13-10/h2-4,9H,5-6H2,1H3,(H,13,14).
What are the key properties of 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 216.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103680905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).