6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one

C17H18N2O — CID 143783382

IUPAC6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(C(C)C)cn1)C2
InChIInChI=1S/C17H18N2O/c1-11(2)13-6-7-16(18-9-13)19-10-14-5-4-12(3)8-15(14)17(19)20/h4-9,11H,10H2,1-3H3
InChIKeyWZJWKSCZUKEQCD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.67
Rot. Bonds2

About 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one

6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one (PubChem CID 143783382) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one
PubChem CID143783382
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(C(C)C)cn1)C2
InChIInChI=1S/C17H18N2O/c1-11(2)13-6-7-16(18-9-13)19-10-14-5-4-12(3)8-15(14)17(19)20/h4-9,11H,10H2,1-3H3
InChIKeyWZJWKSCZUKEQCD-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-pyridinyl)-5-methyl-3H-isoindol-1-one
CID 71084137
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233
6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one
CID 143783388
ethane;methane;6-methyl-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
CID 143783435
4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
CID 59019290
7-(5-bromo-2-pyridinyl)-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one
CID 42598209
5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine
CID 157318274
6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one
CID 42597486
2-[4-[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]phenyl]-6-(4-methylphenyl)-3H-isoindol-1-one
CID 143544825
2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115023854
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyridine
CID 66831246

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one?
The IUPAC name of 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one (CID 143783382) is 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one?
The canonical SMILES for 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one is Cc1ccc2c(c1)C(=O)N(c1ccc(C(C)C)cn1)C2.
What is the InChIKey of 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one?
The InChIKey is WZJWKSCZUKEQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(2)13-6-7-16(18-9-13)19-10-14-5-4-12(3)8-15(14)17(19)20/h4-9,11H,10H2,1-3H3.
What are the key properties of 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one?
6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one is sourced from PubChem (CID 143783382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).