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

C16H25N3O2 — CID 116637902

IUPAC[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCCCC2CO)n1
InChIInChI=1S/C16H25N3O2/c1-2-10-17-15-9-6-8-14(18-15)16(21)19-11-5-3-4-7-13(19)12-20/h6,8-9,13,20H,2-5,7,10-12H2,1H3,(H,17,18)
InChIKeyXSPQNNFGOLCPBH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.28
Rot. Bonds5

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

[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone (PubChem CID 116637902) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
PubChem CID116637902
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCCCC2CO)n1
InChIInChI=1S/C16H25N3O2/c1-2-10-17-15-9-6-8-14(18-15)16(21)19-11-5-3-4-7-13(19)12-20/h6,8-9,13,20H,2-5,7,10-12H2,1H3,(H,17,18)
InChIKeyXSPQNNFGOLCPBH-UHFFFAOYSA-N
XLogP2.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637898
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 62239964
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 65322102
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
(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
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)-2-pyridinyl]methanone
CID 62889943
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone (CID 116637902) is [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone is CCCNc1cccc(C(=O)N2CCCCCC2CO)n1.
What is the InChIKey of [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone?
The InChIKey is XSPQNNFGOLCPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-10-17-15-9-6-8-14(18-15)16(21)19-11-5-3-4-7-13(19)12-20/h6,8-9,13,20H,2-5,7,10-12H2,1H3,(H,17,18).
What are the key properties of [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone?
[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone has a molecular weight of 291.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 116637902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).