3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C14H13N3O — CID 10014479

IUPAC3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1nc2c(cc1-c1ccncc1)C(C)C(=O)N2
InChIInChI=1S/C14H13N3O/c1-8-11-7-12(10-3-5-15-6-4-10)9(2)16-13(11)17-14(8)18/h3-8H,1-2H3,(H,16,17,18)
InChIKeyVCNHBHOCRXRIGY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.51
Rot. Bonds1

About 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 10014479) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID10014479
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1nc2c(cc1-c1ccncc1)C(C)C(=O)N2
InChIInChI=1S/C14H13N3O/c1-8-11-7-12(10-3-5-15-6-4-10)9(2)16-13(11)17-14(8)18/h3-8H,1-2H3,(H,16,17,18)
InChIKeyVCNHBHOCRXRIGY-UHFFFAOYSA-N
XLogP2.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 10014479) is 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is Cc1nc2c(cc1-c1ccncc1)C(C)C(=O)N2.
What is the InChIKey of 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is VCNHBHOCRXRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8-11-7-12(10-3-5-15-6-4-10)9(2)16-13(11)17-14(8)18/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 10014479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).