3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile

C11H13N5O — CID 106252122

IUPAC3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile
SMILESCN1CCC(Nc2nccc(C#N)c2N)C1=O
InChIInChI=1S/C11H13N5O/c1-16-5-3-8(11(16)17)15-10-9(13)7(6-12)2-4-14-10/h2,4,8H,3,5,13H2,1H3,(H,14,15)
InChIKeyHMLKUOKYFXNEGX-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.18
Rot. Bonds2

About 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile

3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile (PubChem CID 106252122) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile
PubChem CID106252122
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile
SMILESCN1CCC(Nc2nccc(C#N)c2N)C1=O
InChIInChI=1S/C11H13N5O/c1-16-5-3-8(11(16)17)15-10-9(13)7(6-12)2-4-14-10/h2,4,8H,3,5,13H2,1H3,(H,14,15)
InChIKeyHMLKUOKYFXNEGX-UHFFFAOYSA-N
XLogP0.18
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile (CID 106252122) is 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile is CN1CCC(Nc2nccc(C#N)c2N)C1=O.
What is the InChIKey of 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile?
The InChIKey is HMLKUOKYFXNEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-5-3-8(11(16)17)15-10-9(13)7(6-12)2-4-14-10/h2,4,8H,3,5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile?
3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 106252122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).