3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one

C18H21N3O2 — CID 102554721

IUPAC3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CC(C)CN(C)c3ccccc32)c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-12-10-20(3)15-6-4-5-7-16(15)21(11-12)18(23)14-9-8-13(2)19-17(14)22/h4-9,12H,10-11H2,1-3H3,(H,19,22)
InChIKeyUDOCKLFTSKGGAH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.42
Rot. Bonds1

About 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one

3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 102554721) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID102554721
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CC(C)CN(C)c3ccccc32)c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-12-10-20(3)15-6-4-5-7-16(15)21(11-12)18(23)14-9-8-13(2)19-17(14)22/h4-9,12H,10-11H2,1-3H3,(H,19,22)
InChIKeyUDOCKLFTSKGGAH-UHFFFAOYSA-N
XLogP2.42
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one (CID 102554721) is 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CC(C)CN(C)c3ccccc32)c(=O)[nH]1.
What is the InChIKey of 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is UDOCKLFTSKGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-10-20(3)15-6-4-5-7-16(15)21(11-12)18(23)14-9-8-13(2)19-17(14)22/h4-9,12H,10-11H2,1-3H3,(H,19,22).
What are the key properties of 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 102554721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).