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

C15H23N3O2 — CID 116637898

IUPAC[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCCNc1cccc(C(=O)N2CCCCCC2CO)n1
InChIInChI=1S/C15H23N3O2/c1-2-16-14-9-6-8-13(17-14)15(20)18-10-5-3-4-7-12(18)11-19/h6,8-9,12,19H,2-5,7,10-11H2,1H3,(H,16,17)
InChIKeyFYVQXCLHOOFULX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.89
Rot. Bonds4

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

[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116637898) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116637898
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCCNc1cccc(C(=O)N2CCCCCC2CO)n1
InChIInChI=1S/C15H23N3O2/c1-2-16-14-9-6-8-13(17-14)15(20)18-10-5-3-4-7-12(18)11-19/h6,8-9,12,19H,2-5,7,10-11H2,1H3,(H,16,17)
InChIKeyFYVQXCLHOOFULX-UHFFFAOYSA-N
XLogP1.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone with MolForge

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 116637902
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)-2-pyridinyl]methanone
CID 62889943
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 62239964
(2-ethylpiperidin-1-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62242086
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55052183
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 116636500
[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903
[6-(ethylamino)-2-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228661
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
N-[[1-(6-methylpyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073456

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116637898) is [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone is CCNc1cccc(C(=O)N2CCCCCC2CO)n1.
What is the InChIKey of [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is FYVQXCLHOOFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-16-14-9-6-8-13(17-14)15(20)18-10-5-3-4-7-12(18)11-19/h6,8-9,12,19H,2-5,7,10-11H2,1H3,(H,16,17).
What are the key properties of [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116637898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).