[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone

C14H21N3O2 — CID 105071412

IUPAC[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cnccc1C(=O)N1CCCCCC1CO
InChIInChI=1S/C14H21N3O2/c1-15-13-9-16-7-6-12(13)14(19)17-8-4-2-3-5-11(17)10-18/h6-7,9,11,15,18H,2-5,8,10H2,1H3
InChIKeyQWLJTNIQQBUPMA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds3

About [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone

[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone (PubChem CID 105071412) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
PubChem CID105071412
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cnccc1C(=O)N1CCCCCC1CO
InChIInChI=1S/C14H21N3O2/c1-15-13-9-16-7-6-12(13)14(19)17-8-4-2-3-5-11(17)10-18/h6-7,9,11,15,18H,2-5,8,10H2,1H3
InChIKeyQWLJTNIQQBUPMA-UHFFFAOYSA-N
XLogP1.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 105069483
(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 64950702
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955
[2-(hydroxymethyl)azepan-1-yl]-[4-methyl-2-(methylamino)phenyl]methanone
CID 116637899
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
[5-chloro-2-(methylamino)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637953
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone (CID 105071412) is [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone is CNc1cnccc1C(=O)N1CCCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone?
The InChIKey is QWLJTNIQQBUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-13-9-16-7-6-12(13)14(19)17-8-4-2-3-5-11(17)10-18/h6-7,9,11,15,18H,2-5,8,10H2,1H3.
What are the key properties of [2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone?
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.50, 3 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]-[3-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105071412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).