(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone

C13H19N3O2 — CID 116633795

IUPAC(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCCCC2CO)nc1
InChIInChI=1S/C13H19N3O2/c14-10-5-6-12(15-8-10)13(18)16-7-3-1-2-4-11(16)9-17/h5-6,8,11,17H,1-4,7,9,14H2
InChIKeyUMWNWOWYFWMZBG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.04
Rot. Bonds2

About (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone

(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116633795) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116633795
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCCCC2CO)nc1
InChIInChI=1S/C13H19N3O2/c14-10-5-6-12(15-8-10)13(18)16-7-3-1-2-4-11(16)9-17/h5-6,8,11,17H,1-4,7,9,14H2
InChIKeyUMWNWOWYFWMZBG-UHFFFAOYSA-N
XLogP1.04
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 107375180
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-amino-2-pyridinyl)methanone
CID 82747718
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116633795) is (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone is Nc1ccc(C(=O)N2CCCCCC2CO)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is UMWNWOWYFWMZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-5-6-12(15-8-10)13(18)16-7-3-1-2-4-11(16)9-17/h5-6,8,11,17H,1-4,7,9,14H2.
What are the key properties of (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116633795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).