3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine

C20H15Cl2N3O — CID 59596261

IUPAC3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine
SMILESCOc1cccc(C2(c3cc(Cl)nc(Cl)c3)N=C(N)c3ccccc32)c1
InChIInChI=1S/C20H15Cl2N3O/c1-26-14-6-4-5-12(9-14)20(13-10-17(21)24-18(22)11-13)16-8-3-2-7-15(16)19(23)25-20/h2-11H,1H3,(H2,23,25)
InChIKeyPCTKIBMOPCIFCG-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.41
Rot. Bonds3

About 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine

3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine (PubChem CID 59596261) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine.

Molecular Properties

Compound Name3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine
PubChem CID59596261
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine
SMILESCOc1cccc(C2(c3cc(Cl)nc(Cl)c3)N=C(N)c3ccccc32)c1
InChIInChI=1S/C20H15Cl2N3O/c1-26-14-6-4-5-12(9-14)20(13-10-17(21)24-18(22)11-13)16-8-3-2-7-15(16)19(23)25-20/h2-11H,1H3,(H2,23,25)
InChIKeyPCTKIBMOPCIFCG-UHFFFAOYSA-N
XLogP4.41
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-amino-1-[3-(3-methoxyphenyl)phenyl]isoindol-1-yl]phenol
CID 143599411
3-(3-bromo-4-fluorophenyl)-3-(4-methoxyphenyl)isoindol-1-amine
CID 59596272
3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
CID 59596308
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
CID 59596275
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327604
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 67273059
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine
CID 16731239
[4-[3-amino-1-(3-pyridin-3-ylphenyl)isoindol-1-yl]phenyl] 2,2,2-trifluoroacetate
CID 91206356
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylisoindol-1-amine
CID 68686087
3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 24874780

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine?
The IUPAC name of 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine (CID 59596261) is 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine.
What is the SMILES notation for 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine?
The canonical SMILES for 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine is COc1cccc(C2(c3cc(Cl)nc(Cl)c3)N=C(N)c3ccccc32)c1.
What is the InChIKey of 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine?
The InChIKey is PCTKIBMOPCIFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c1-26-14-6-4-5-12(9-14)20(13-10-17(21)24-18(22)11-13)16-8-3-2-7-15(16)19(23)25-20/h2-11H,1H3,(H2,23,25).
What are the key properties of 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine?
3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine has a molecular weight of 384.27 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine is sourced from PubChem (CID 59596261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).