2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one

C16H17N3O2 — CID 167895913

IUPAC2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1CNCc1ccc[nH]c1=O
InChIInChI=1S/C16H17N3O2/c1-19-14(12-6-2-3-7-13(12)16(19)21)10-17-9-11-5-4-8-18-15(11)20/h2-8,14,17H,9-10H2,1H3,(H,18,20)
InChIKeyKFELJMOSCIRHSQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one

2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one (PubChem CID 167895913) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one
PubChem CID167895913
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1CNCc1ccc[nH]c1=O
InChIInChI=1S/C16H17N3O2/c1-19-14(12-6-2-3-7-13(12)16(19)21)10-17-9-11-5-4-8-18-15(11)20/h2-8,14,17H,9-10H2,1H3,(H,18,20)
InChIKeyKFELJMOSCIRHSQ-UHFFFAOYSA-N
XLogP1.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-oxopropyl)-3H-isoindol-1-one
CID 12648024
3-but-3-enyl-2-methyl-3H-isoindol-1-one
CID 138969079
N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 138057275
3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
CID 132524924
4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide
CID 154843095
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
2-methyl-3-[2-(4-methylphenyl)sulfonylethyl]-3H-isoindol-1-one
CID 18703634
7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 138037761
N-methyl-N-[4-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methylamino]-4-oxobutyl]pyridine-4-carboxamide
CID 164639413
4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 13308582
1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 164634489
6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione
CID 91703871

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one?
The IUPAC name of 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one (CID 167895913) is 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one is CN1C(=O)c2ccccc2C1CNCc1ccc[nH]c1=O.
What is the InChIKey of 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one?
The InChIKey is KFELJMOSCIRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-14(12-6-2-3-7-13(12)16(19)21)10-17-9-11-5-4-8-18-15(11)20/h2-8,14,17H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one?
2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one has a molecular weight of 283.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-oxo-1H-pyridin-3-yl)methylamino]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 167895913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).