1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone

C17H26N2O — CID 83119164

IUPAC1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H26N2O/c1-13(20)16-8-7-15(12-18-16)19-10-5-6-14(9-11-19)17(2,3)4/h7-8,12,14H,5-6,9-11H2,1-4H3
InChIKeyMAHASROUFREDSU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.94
Rot. Bonds2

About 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone

1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone (PubChem CID 83119164) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
PubChem CID83119164
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H26N2O/c1-13(20)16-8-7-15(12-18-16)19-10-5-6-14(9-11-19)17(2,3)4/h7-8,12,14H,5-6,9-11H2,1-4H3
InChIKeyMAHASROUFREDSU-UHFFFAOYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
CID 102958776
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
1-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]ethanone
CID 83118609
2-(4-tert-butylazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568577
4-(4-tert-butylazepan-1-yl)benzene-1,2-diamine
CID 106750874
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 176748242

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone (CID 83119164) is 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(N2CCCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone?
The InChIKey is MAHASROUFREDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(20)16-8-7-15(12-18-16)19-10-5-6-14(9-11-19)17(2,3)4/h7-8,12,14H,5-6,9-11H2,1-4H3.
What are the key properties of 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone?
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone has a molecular weight of 274.41 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).