azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone

C15H23N3O — CID 104639816

IUPACazocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
SMILESCCNc1ccc(C(=O)N2CCCCCCC2)nc1
InChIInChI=1S/C15H23N3O/c1-2-16-13-8-9-14(17-12-13)15(19)18-10-6-4-3-5-7-11-18/h8-9,12,16H,2-7,10-11H2,1H3
InChIKeyFYXXZSOSGFLSRU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds3

About azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone

azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone (PubChem CID 104639816) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
PubChem CID104639816
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Nameazocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
SMILESCCNc1ccc(C(=O)N2CCCCCCC2)nc1
InChIInChI=1S/C15H23N3O/c1-2-16-13-8-9-14(17-12-13)15(19)18-10-6-4-3-5-7-11-18/h8-9,12,16H,2-7,10-11H2,1H3
InChIKeyFYXXZSOSGFLSRU-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 104641158
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
ethyl 4-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109196834
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone?
The IUPAC name of azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone (CID 104639816) is azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone?
The canonical SMILES for azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone is CCNc1ccc(C(=O)N2CCCCCCC2)nc1.
What is the InChIKey of azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone?
The InChIKey is FYXXZSOSGFLSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-16-13-8-9-14(17-12-13)15(19)18-10-6-4-3-5-7-11-18/h8-9,12,16H,2-7,10-11H2,1H3.
What are the key properties of azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone?
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104639816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).