N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine

C15H17N3O — CID 105357951

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine
SMILESCOc1cc(NCc2ccc3c(c2)CNC3)ccn1
InChIInChI=1S/C15H17N3O/c1-19-15-7-14(4-5-17-15)18-8-11-2-3-12-9-16-10-13(12)6-11/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyZYMDXGOXUSLKER-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.31
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine (PubChem CID 105357951) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine
PubChem CID105357951
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine
SMILESCOc1cc(NCc2ccc3c(c2)CNC3)ccn1
InChIInChI=1S/C15H17N3O/c1-19-15-7-14(4-5-17-15)18-8-11-2-3-12-9-16-10-13(12)6-11/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyZYMDXGOXUSLKER-UHFFFAOYSA-N
XLogP2.31
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine
CID 105358195
3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile
CID 105357834
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 105357862
N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120969454
3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 105358018
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 105358167
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534447
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136743847
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998680

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine (CID 105357951) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine is COc1cc(NCc2ccc3c(c2)CNC3)ccn1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine?
The InChIKey is ZYMDXGOXUSLKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-15-7-14(4-5-17-15)18-8-11-2-3-12-9-16-10-13(12)6-11/h2-7,16H,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine is sourced from PubChem (CID 105357951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).