10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

C18H17N3O2S — CID 13282024

IUPAC10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
SMILESCN1CC=C(C(=O)N2c3ccccc3NC(=O)c3cscc32)CC1
InChIInChI=1S/C18H17N3O2S/c1-20-8-6-12(7-9-20)18(23)21-15-5-3-2-4-14(15)19-17(22)13-10-24-11-16(13)21/h2-6,10-11H,7-9H2,1H3,(H,19,22)
InChIKeyRBYIYSFWZUPREA-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.24
Rot. Bonds1

About 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 13282024) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
PubChem CID13282024
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
SMILESCN1CC=C(C(=O)N2c3ccccc3NC(=O)c3cscc32)CC1
InChIInChI=1S/C18H17N3O2S/c1-20-8-6-12(7-9-20)18(23)21-15-5-3-2-4-14(15)19-17(22)13-10-24-11-16(13)21/h2-6,10-11H,7-9H2,1H3,(H,19,22)
InChIKeyRBYIYSFWZUPREA-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one (CID 13282024) is 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one is CN1CC=C(C(=O)N2c3ccccc3NC(=O)c3cscc32)CC1.
What is the InChIKey of 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is RBYIYSFWZUPREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-20-8-6-12(7-9-20)18(23)21-15-5-3-2-4-14(15)19-17(22)13-10-24-11-16(13)21/h2-6,10-11H,7-9H2,1H3,(H,19,22).
What are the key properties of 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 339.42 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-methyl-3,6-dihydro-2H-pyridine-4-carbonyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 13282024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).