azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone

C16H23N3O — CID 109182048

IUPACazepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cn1)N1CCCCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-11-3-1-2-4-12-19)15-8-7-14(13-17-15)18-9-5-6-10-18/h7-8,13H,1-6,9-12H2
InChIKeyNNUDNXSLTCUNJZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.70
Rot. Bonds2

About azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone

azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone (PubChem CID 109182048) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
PubChem CID109182048
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Nameazepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cn1)N1CCCCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-11-3-1-2-4-12-19)15-8-7-14(13-17-15)18-9-5-6-10-18/h7-8,13H,1-6,9-12H2
InChIKeyNNUDNXSLTCUNJZ-UHFFFAOYSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182594
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone (CID 109182048) is azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone is O=C(c1ccc(N2CCCC2)cn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone?
The InChIKey is NNUDNXSLTCUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(19-11-3-1-2-4-12-19)15-8-7-14(13-17-15)18-9-5-6-10-18/h7-8,13H,1-6,9-12H2.
What are the key properties of azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone?
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 109182048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).