1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone

C15H15N3O — CID 62232700

IUPAC1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2Cc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O/c1-16-14-8-4-7-13(17-14)15(19)18-9-11-5-2-3-6-12(11)10-18/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyUUZNCTWRLQAULF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.28
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone

1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone (PubChem CID 62232700) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
PubChem CID62232700
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2Cc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O/c1-16-14-8-4-7-13(17-14)15(19)18-9-11-5-2-3-6-12(11)10-18/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyUUZNCTWRLQAULF-UHFFFAOYSA-N
XLogP2.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone (CID 62232700) is 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone is CNc1cccc(C(=O)N2Cc3ccccc3C2)n1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone?
The InChIKey is UUZNCTWRLQAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-16-14-8-4-7-13(17-14)15(19)18-9-11-5-2-3-6-12(11)10-18/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone?
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone has a molecular weight of 253.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 62232700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).