N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide

C26H23N3O — CID 18422452

IUPACN-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCNc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C26H23N3O/c30-26(28-25-12-6-10-20-9-4-5-11-23(20)25)29-16-15-27-24-14-13-21(17-22(24)18-29)19-7-2-1-3-8-19/h1-14,17,27H,15-16,18H2,(H,28,30)
InChIKeyADSMUZTZNSYZLK-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.97
Rot. Bonds2

About N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide

N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide (PubChem CID 18422452) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide
PubChem CID18422452
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCNc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C26H23N3O/c30-26(28-25-12-6-10-20-9-4-5-11-23(20)25)29-16-15-27-24-14-13-21(17-22(24)18-29)19-7-2-1-3-8-19/h1-14,17,27H,15-16,18H2,(H,28,30)
InChIKeyADSMUZTZNSYZLK-UHFFFAOYSA-N
XLogP5.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide (CID 18422452) is N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide is O=C(Nc1cccc2ccccc12)N1CCNc2ccc(-c3ccccc3)cc2C1.
What is the InChIKey of N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide?
The InChIKey is ADSMUZTZNSYZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c30-26(28-25-12-6-10-20-9-4-5-11-23(20)25)29-16-15-27-24-14-13-21(17-22(24)18-29)19-7-2-1-3-8-19/h1-14,17,27H,15-16,18H2,(H,28,30).
What are the key properties of N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide?
N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 5.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 18422452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).