2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide

C21H26N4O3 — CID 23853459

IUPAC2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide
SMILESCc1cccc(CN2CCCN(C(=O)COc3ccccc3C(N)=O)CC2)n1
InChIInChI=1S/C21H26N4O3/c1-16-6-4-7-17(23-16)14-24-10-5-11-25(13-12-24)20(26)15-28-19-9-3-2-8-18(19)21(22)27/h2-4,6-9H,5,10-15H2,1H3,(H2,22,27)
InChIKeyABADYMNPHPKIGM-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.60
Rot. Bonds6

About 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide

2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide (PubChem CID 23853459) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide
PubChem CID23853459
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide
SMILESCc1cccc(CN2CCCN(C(=O)COc3ccccc3C(N)=O)CC2)n1
InChIInChI=1S/C21H26N4O3/c1-16-6-4-7-17(23-16)14-24-10-5-11-25(13-12-24)20(26)15-28-19-9-3-2-8-18(19)21(22)27/h2-4,6-9H,5,10-15H2,1H3,(H2,22,27)
InChIKeyABADYMNPHPKIGM-UHFFFAOYSA-N
XLogP1.60
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110646491
2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
CID 38858953
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 38859014
1,3-dimethyl-7-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]purine-2,6-dione
CID 23878240
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
CID 107224218
2-(2-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108547210
ethyl 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate
CID 22264628
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 95221644
2-(4-chlorophenoxy)-2-methyl-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 23741163
2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 37387185

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide (CID 23853459) is 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide is Cc1cccc(CN2CCCN(C(=O)COc3ccccc3C(N)=O)CC2)n1.
What is the InChIKey of 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is ABADYMNPHPKIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16-6-4-7-17(23-16)14-24-10-5-11-25(13-12-24)20(26)15-28-19-9-3-2-8-18(19)21(22)27/h2-4,6-9H,5,10-15H2,1H3,(H2,22,27).
What are the key properties of 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide?
2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 382.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 23853459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).