N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide

C26H20N4O3 — CID 90466886

IUPACN-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide
SMILESO=C(COc1ccccn1)Nc1ccc(C2=NCC(=O)Nc3c2ccc2ccccc32)cc1
InChIInChI=1S/C26H20N4O3/c31-22-15-28-25(21-13-10-17-5-1-2-6-20(17)26(21)30-22)18-8-11-19(12-9-18)29-23(32)16-33-24-7-3-4-14-27-24/h1-14H,15-16H2,(H,29,32)(H,30,31)
InChIKeyCVQYOGHQFBCOLE-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide

N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide (PubChem CID 90466886) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide
PubChem CID90466886
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC NameN-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide
SMILESO=C(COc1ccccn1)Nc1ccc(C2=NCC(=O)Nc3c2ccc2ccccc32)cc1
InChIInChI=1S/C26H20N4O3/c31-22-15-28-25(21-13-10-17-5-1-2-6-20(17)26(21)30-22)18-8-11-19(12-9-18)29-23(32)16-33-24-7-3-4-14-27-24/h1-14H,15-16H2,(H,29,32)(H,30,31)
InChIKeyCVQYOGHQFBCOLE-UHFFFAOYSA-N
XLogP4.04
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide?
The IUPAC name of N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide (CID 90466886) is N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide.
What is the SMILES notation for N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide?
The canonical SMILES for N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide is O=C(COc1ccccn1)Nc1ccc(C2=NCC(=O)Nc3c2ccc2ccccc32)cc1.
What is the InChIKey of N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide?
The InChIKey is CVQYOGHQFBCOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-22-15-28-25(21-13-10-17-5-1-2-6-20(17)26(21)30-22)18-8-11-19(12-9-18)29-23(32)16-33-24-7-3-4-14-27-24/h1-14H,15-16H2,(H,29,32)(H,30,31).
What are the key properties of N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide?
N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide has a molecular weight of 436.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-1,3-dihydrobenzo[i][1,4]benzodiazepin-5-yl)phenyl]-2-pyridin-2-yloxyacetamide is sourced from PubChem (CID 90466886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).