1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone

C17H18FN3O2 — CID 24770965

IUPAC1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCNCC1
InChIInChI=1S/C17H18FN3O2/c18-14-3-5-15(6-4-14)23-16-7-2-13(12-20-16)17(22)21-10-1-8-19-9-11-21/h2-7,12,19H,1,8-11H2
InChIKeyDJBQOVQBHHGGBX-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.45
Rot. Bonds3

About 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone

1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone (PubChem CID 24770965) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
PubChem CID24770965
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCNCC1
InChIInChI=1S/C17H18FN3O2/c18-14-3-5-15(6-4-14)23-16-7-2-13(12-20-16)17(22)21-10-1-8-19-9-11-21/h2-7,12,19H,1,8-11H2
InChIKeyDJBQOVQBHHGGBX-UHFFFAOYSA-N
XLogP2.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119417259
1,4-diazepan-1-yl-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
CID 119416353
1,4-diazepan-1-yl-(4-phenoxyphenyl)methanone;hydrochloride
CID 119414642
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
1,4-diazepan-1-yl-[4-(2,3-dichlorophenoxy)phenyl]methanone;hydrochloride
CID 119417574
N'-hydroxy-6-[3-[[5-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]-5-(piperazine-1-carbonyl)phenoxy]pyridine-3-carboximidamide
CID 141280453
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 58073146
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone
CID 24771522

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone (CID 24770965) is 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone is O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The InChIKey is DJBQOVQBHHGGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-3-5-15(6-4-14)23-16-7-2-13(12-20-16)17(22)21-10-1-8-19-9-11-21/h2-7,12,19H,1,8-11H2.
What are the key properties of 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 24770965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).