azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone

C18H27N3O — CID 84573821

IUPACazepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(N2CCCCCC2)n1)N1CCCCCC1
InChIInChI=1S/C18H27N3O/c22-18(21-14-7-3-4-8-15-21)16-10-9-11-17(19-16)20-12-5-1-2-6-13-20/h9-11H,1-8,12-15H2
InChIKeyKGJKSQJOMKGFLM-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.48
Rot. Bonds2

About azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone

azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone (PubChem CID 84573821) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
PubChem CID84573821
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Nameazepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(N2CCCCCC2)n1)N1CCCCCC1
InChIInChI=1S/C18H27N3O/c22-18(21-14-7-3-4-8-15-21)16-10-9-11-17(19-16)20-12-5-1-2-6-13-20/h9-11H,1-8,12-15H2
InChIKeyKGJKSQJOMKGFLM-UHFFFAOYSA-N
XLogP3.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-[6-(azepan-1-yl)-2-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

(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573681
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573692
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84573748
3,4-dihydro-2H-quinolin-1-yl-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573646
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone (CID 84573821) is azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone is O=C(c1cccc(N2CCCCCC2)n1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone?
The InChIKey is KGJKSQJOMKGFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(21-14-7-3-4-8-15-21)16-10-9-11-17(19-16)20-12-5-1-2-6-13-20/h9-11H,1-8,12-15H2.
What are the key properties of azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone?
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone has a molecular weight of 301.43 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 84573821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).