5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one

C19H16N4O — CID 90042635

IUPAC5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3ccc(-c4cncc(N)c4)nc3)ccc2C1=O
InChIInChI=1S/C19H16N4O/c1-23-11-15-6-12(2-4-17(15)19(23)24)13-3-5-18(22-9-13)14-7-16(20)10-21-8-14/h2-10H,11,20H2,1H3
InChIKeyRZFZIGHGLMYZJB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.98
Rot. Bonds2

About 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one

5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one (PubChem CID 90042635) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one
PubChem CID90042635
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3ccc(-c4cncc(N)c4)nc3)ccc2C1=O
InChIInChI=1S/C19H16N4O/c1-23-11-15-6-12(2-4-17(15)19(23)24)13-3-5-18(22-9-13)14-7-16(20)10-21-8-14/h2-10H,11,20H2,1H3
InChIKeyRZFZIGHGLMYZJB-UHFFFAOYSA-N
XLogP2.98
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]-3-pyridinyl]acetate
CID 149016984
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
5-[4-(2-aminoethyl)phenyl]-2-methyl-3H-isoindol-1-one
CID 157017376
5-(1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-3H-isoindol-1-one
CID 170286019
5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-2-(3-hydroxypropyl)-3H-isoindol-1-one
CID 90041936
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one
CID 157017391
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one
CID 155916412
5-[3-(dimethylamino)phenyl]-2-methyl-3H-isoindol-1-one
CID 155495141
5-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
CID 155911428
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3H-isoindol-1-one
CID 155909232
2-methyl-3-oxo-6-[5-[5-(sulfinatoamino)-3-pyridinyl]thiophen-2-yl]-1H-isoindole
CID 123402587

Frequently Asked Questions

What is the IUPAC name of 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one (CID 90042635) is 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one is CN1Cc2cc(-c3ccc(-c4cncc(N)c4)nc3)ccc2C1=O.
What is the InChIKey of 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
The InChIKey is RZFZIGHGLMYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-23-11-15-6-12(2-4-17(15)19(23)24)13-3-5-18(22-9-13)14-7-16(20)10-21-8-14/h2-10H,11,20H2,1H3.
What are the key properties of 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one has a molecular weight of 316.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(5-amino-3-pyridinyl)-3-pyridinyl]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 90042635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).