1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one

C13H16N4O — CID 106252551

IUPAC1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESCN1CCC(NCc2c[nH]c3ncccc23)C1=O
InChIInChI=1S/C13H16N4O/c1-17-6-4-11(13(17)18)15-7-9-8-16-12-10(9)3-2-5-14-12/h2-3,5,8,11,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyAVKVFKLIGZOKAI-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.88
Rot. Bonds3

About 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one

1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 106252551) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
PubChem CID106252551
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESCN1CCC(NCc2c[nH]c3ncccc23)C1=O
InChIInChI=1S/C13H16N4O/c1-17-6-4-11(13(17)18)15-7-9-8-16-12-10(9)3-2-5-14-12/h2-3,5,8,11,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyAVKVFKLIGZOKAI-UHFFFAOYSA-N
XLogP0.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one (CID 106252551) is 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one is CN1CCC(NCc2c[nH]c3ncccc23)C1=O.
What is the InChIKey of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is AVKVFKLIGZOKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-6-4-11(13(17)18)15-7-9-8-16-12-10(9)3-2-5-14-12/h2-3,5,8,11,15H,4,6-7H2,1H3,(H,14,16).
What are the key properties of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one?
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 106252551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).