4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one

C26H22N4O — CID 158837194

IUPAC4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one
SMILESCc1cc(Cn2ccc(-c3ccc4c(c3)C(c3ccnc(C)c3)=NC4)cc2=O)ccn1
InChIInChI=1S/C26H22N4O/c1-17-11-19(5-8-27-17)16-30-10-7-21(14-25(30)31)20-3-4-23-15-29-26(24(23)13-20)22-6-9-28-18(2)12-22/h3-14H,15-16H2,1-2H3
InChIKeyIXUACQIOHMSCHH-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.32
Rot. Bonds4

About 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one

4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one (PubChem CID 158837194) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one
PubChem CID158837194
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one
SMILESCc1cc(Cn2ccc(-c3ccc4c(c3)C(c3ccnc(C)c3)=NC4)cc2=O)ccn1
InChIInChI=1S/C26H22N4O/c1-17-11-19(5-8-27-17)16-30-10-7-21(14-25(30)31)20-3-4-23-15-29-26(24(23)13-20)22-6-9-28-18(2)12-22/h3-14H,15-16H2,1-2H3
InChIKeyIXUACQIOHMSCHH-UHFFFAOYSA-N
XLogP4.32
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one (CID 158837194) is 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one is Cc1cc(Cn2ccc(-c3ccc4c(c3)C(c3ccnc(C)c3)=NC4)cc2=O)ccn1.
What is the InChIKey of 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one?
The InChIKey is IXUACQIOHMSCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-17-11-19(5-8-27-17)16-30-10-7-21(14-25(30)31)20-3-4-23-15-29-26(24(23)13-20)22-6-9-28-18(2)12-22/h3-14H,15-16H2,1-2H3.
What are the key properties of 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one?
4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one has a molecular weight of 406.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 158837194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).