6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol

C14H15N3O — CID 156640538

IUPAC6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol
SMILESNc1ccc2c(c1)C(O)N(Cc1ccncc1)C2
InChIInChI=1S/C14H15N3O/c15-12-2-1-11-9-17(14(18)13(11)7-12)8-10-3-5-16-6-4-10/h1-7,14,18H,8-9,15H2
InChIKeyCCWMJSKFRWOXKW-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.67
Rot. Bonds2

About 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol

6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol (PubChem CID 156640538) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol.

Molecular Properties

Compound Name6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol
PubChem CID156640538
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol
SMILESNc1ccc2c(c1)C(O)N(Cc1ccncc1)C2
InChIInChI=1S/C14H15N3O/c15-12-2-1-11-9-17(14(18)13(11)7-12)8-10-3-5-16-6-4-10/h1-7,14,18H,8-9,15H2
InChIKeyCCWMJSKFRWOXKW-UHFFFAOYSA-N
XLogP1.67
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol?
The IUPAC name of 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol (CID 156640538) is 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol.
What is the SMILES notation for 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol?
The canonical SMILES for 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol is Nc1ccc2c(c1)C(O)N(Cc1ccncc1)C2.
What is the InChIKey of 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol?
The InChIKey is CCWMJSKFRWOXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-12-2-1-11-9-17(14(18)13(11)7-12)8-10-3-5-16-6-4-10/h1-7,14,18H,8-9,15H2.
What are the key properties of 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol?
6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol has a molecular weight of 241.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol is sourced from PubChem (CID 156640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).