6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one

C15H15N3O — CID 134451454

IUPAC6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1
InChIInChI=1S/C15H15N3O/c1-9-6-13(14(16)18-8-9)10-2-3-12-11(7-10)4-5-17-15(12)19/h2-3,6-8H,4-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeySJAJNENGGLDPCX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.93
Rot. Bonds1

About 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one

6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 134451454) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID134451454
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1
InChIInChI=1S/C15H15N3O/c1-9-6-13(14(16)18-8-9)10-2-3-12-11(7-10)4-5-17-15(12)19/h2-3,6-8H,4-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeySJAJNENGGLDPCX-UHFFFAOYSA-N
XLogP1.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-yl)-N-(pyridin-2-yl)benzamide
CID 898760
N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
CID 24812718
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
5H-Benzo(c)(1,8)naphthyridin-6-one
CID 12342815
N-(pyridin-2-yl)biphenyl-4-carboxamide
CID 669449
2-Methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 3363325
N3-(6-aminopyridin-3-yl)-N1-(3-cyclohexylpropyl)-4-methylisophthalamide
CID 44560641
(3,4-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 888130
Naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1280312
2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 4044164
3'',4''-Dimethyl-biphenyl-4-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 14570086
N-(5-Phenylpyridin-2-yl)benzamide
CID 24949411

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one (CID 134451454) is 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one is Cc1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1.
What is the InChIKey of 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is SJAJNENGGLDPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-6-13(14(16)18-8-9)10-2-3-12-11(7-10)4-5-17-15(12)19/h2-3,6-8H,4-5H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one?
6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 253.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 134451454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).