[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone

C21H25N3O2 — CID 95205942

IUPAC[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESO=C(c1ccc(N2CC(O)C2)nc1)N1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19-14-24(15-19)20-9-8-18(13-22-20)21(26)23-11-4-7-17(10-12-23)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,19,25H,4,7,10-12,14-15H2/t17-/m1/s1
InChIKeyDEYIYJRFVNQHNF-QGZVFWFLSA-N
MW351.45 g/mol
LogP2.67
Rot. Bonds3

About [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone

[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone (PubChem CID 95205942) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
PubChem CID95205942
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESO=C(c1ccc(N2CC(O)C2)nc1)N1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19-14-24(15-19)20-9-8-18(13-22-20)21(26)23-11-4-7-17(10-12-23)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,19,25H,4,7,10-12,14-15H2/t17-/m1/s1
InChIKeyDEYIYJRFVNQHNF-QGZVFWFLSA-N
XLogP2.67
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone with MolForge

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Related Compounds

[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160
[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95218046
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
N,N-dimethyl-2-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 95206898

Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The IUPAC name of [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone (CID 95205942) is [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone.
What is the SMILES notation for [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The canonical SMILES for [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone is O=C(c1ccc(N2CC(O)C2)nc1)N1CCC[C@@H](c2ccccc2)CC1.
What is the InChIKey of [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The InChIKey is DEYIYJRFVNQHNF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-19-14-24(15-19)20-9-8-18(13-22-20)21(26)23-11-4-7-17(10-12-23)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,19,25H,4,7,10-12,14-15H2/t17-/m1/s1.
What are the key properties of [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone is sourced from PubChem (CID 95205942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).