3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide

C24H24N4O2 — CID 154849700

IUPAC3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
SMILESCC(NC(=O)N1Cc2ccccc2NC(=O)C1C)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H24N4O2/c1-16(18-7-9-19(10-8-18)20-11-13-25-14-12-20)26-24(30)28-15-21-5-3-4-6-22(21)27-23(29)17(28)2/h3-14,16-17H,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyTZPSTDKDSHTGAG-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.36
Rot. Bonds3

About 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide

3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide (PubChem CID 154849700) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
PubChem CID154849700
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
SMILESCC(NC(=O)N1Cc2ccccc2NC(=O)C1C)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H24N4O2/c1-16(18-7-9-19(10-8-18)20-11-13-25-14-12-20)26-24(30)28-15-21-5-3-4-6-22(21)27-23(29)17(28)2/h3-14,16-17H,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyTZPSTDKDSHTGAG-UHFFFAOYSA-N
XLogP4.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide (CID 154849700) is 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide is CC(NC(=O)N1Cc2ccccc2NC(=O)C1C)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is TZPSTDKDSHTGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(18-7-9-19(10-8-18)20-11-13-25-14-12-20)26-24(30)28-15-21-5-3-4-6-22(21)27-23(29)17(28)2/h3-14,16-17H,15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 154849700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).