[2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone

C24H21N3OS — CID 11003886

IUPAC[2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone
SMILESNc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1cccnc1)C2
InChIInChI=1S/C24H21N3OS/c25-24-22(23(28)19-8-7-17-5-1-2-6-18(17)12-19)20-9-11-27(15-21(20)29-24)14-16-4-3-10-26-13-16/h1-8,10,12-13H,9,11,14-15,25H2
InChIKeyFOIOQXCTXUWXDB-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.67
Rot. Bonds4

About [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone

[2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 11003886) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone
PubChem CID11003886
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name[2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone
SMILESNc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1cccnc1)C2
InChIInChI=1S/C24H21N3OS/c25-24-22(23(28)19-8-7-17-5-1-2-6-18(17)12-19)20-9-11-27(15-21(20)29-24)14-16-4-3-10-26-13-16/h1-8,10,12-13H,9,11,14-15,25H2
InChIKeyFOIOQXCTXUWXDB-UHFFFAOYSA-N
XLogP4.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone (CID 11003886) is [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone is Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1cccnc1)C2.
What is the InChIKey of [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is FOIOQXCTXUWXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c25-24-22(23(28)19-8-7-17-5-1-2-6-18(17)12-19)20-9-11-27(15-21(20)29-24)14-16-4-3-10-26-13-16/h1-8,10,12-13H,9,11,14-15,25H2.
What are the key properties of [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone?
[2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 399.52 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 11003886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).