N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide

C25H18N4O — CID 141368428

IUPACN-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2C=CC=Nc3ccc4ccccc4c32)cc1)c1cccnc1
InChIInChI=1S/C25H18N4O/c30-25(19-6-3-14-26-17-19)28-20-9-11-21(12-10-20)29-16-4-15-27-23-13-8-18-5-1-2-7-22(18)24(23)29/h1-17H,(H,28,30)
InChIKeyWEDLWLWYROOFQB-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.85
Rot. Bonds3

About N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide

N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 141368428) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID141368428
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC NameN-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2C=CC=Nc3ccc4ccccc4c32)cc1)c1cccnc1
InChIInChI=1S/C25H18N4O/c30-25(19-6-3-14-26-17-19)28-20-9-11-21(12-10-20)29-16-4-15-27-23-13-8-18-5-1-2-7-22(18)24(23)29/h1-17H,(H,28,30)
InChIKeyWEDLWLWYROOFQB-UHFFFAOYSA-N
XLogP5.85
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide (CID 141368428) is N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2C=CC=Nc3ccc4ccccc4c32)cc1)c1cccnc1.
What is the InChIKey of N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is WEDLWLWYROOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c30-25(19-6-3-14-26-17-19)28-20-9-11-21(12-10-20)29-16-4-15-27-23-13-8-18-5-1-2-7-22(18)24(23)29/h1-17H,(H,28,30).
What are the key properties of N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide?
N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[i][1,5]benzodiazepin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 141368428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).