N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide

C17H21N5O3 — CID 118743327

IUPACN-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(COc2cccnc2)C1
InChIInChI=1S/C17H21N5O3/c1-13(23)20-8-17(24)22-10-14(9-21-6-5-19-16(21)11-22)12-25-15-3-2-4-18-7-15/h2-7,14H,8-12H2,1H3,(H,20,23)
InChIKeyFSXZGYQCADNSRI-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.45
Rot. Bonds5

About N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide

N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (PubChem CID 118743327) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
PubChem CID118743327
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(COc2cccnc2)C1
InChIInChI=1S/C17H21N5O3/c1-13(23)20-8-17(24)22-10-14(9-21-6-5-19-16(21)11-22)12-25-15-3-2-4-18-7-15/h2-7,14H,8-12H2,1H3,(H,20,23)
InChIKeyFSXZGYQCADNSRI-UHFFFAOYSA-N
XLogP0.45
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (CID 118743327) is N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2CC(COc2cccnc2)C1.
What is the InChIKey of N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The InChIKey is FSXZGYQCADNSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-13(23)20-8-17(24)22-10-14(9-21-6-5-19-16(21)11-22)12-25-15-3-2-4-18-7-15/h2-7,14H,8-12H2,1H3,(H,20,23).
What are the key properties of N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is sourced from PubChem (CID 118743327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).