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

C24H25N3O2 — CID 95218046

IUPAC[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)cn1
InChIInChI=1S/C24H25N3O2/c1-29-23-12-10-20(16-26-23)22-11-9-21(17-25-22)24(28)27-14-5-8-19(13-15-27)18-6-3-2-4-7-18/h2-4,6-7,9-12,16-17,19H,5,8,13-15H2,1H3/t19-/m1/s1
InChIKeyLGFMDUYOCJSYHR-LJQANCHMSA-N
MW387.48 g/mol
LogP4.56
Rot. Bonds4

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

[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone (PubChem CID 95218046) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
PubChem CID95218046
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)cn1
InChIInChI=1S/C24H25N3O2/c1-29-23-12-10-20(16-26-23)22-11-9-21(17-25-22)24(28)27-14-5-8-19(13-15-27)18-6-3-2-4-7-18/h2-4,6-7,9-12,16-17,19H,5,8,13-15H2,1H3/t19-/m1/s1
InChIKeyLGFMDUYOCJSYHR-LJQANCHMSA-N
XLogP4.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 53192439
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160

Frequently Asked Questions

What is the IUPAC name of [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The IUPAC name of [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone (CID 95218046) is [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone.
What is the SMILES notation for [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The canonical SMILES for [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)cn1.
What is the InChIKey of [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The InChIKey is LGFMDUYOCJSYHR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-23-12-10-20(16-26-23)22-11-9-21(17-25-22)24(28)27-14-5-8-19(13-15-27)18-6-3-2-4-7-18/h2-4,6-7,9-12,16-17,19H,5,8,13-15H2,1H3/t19-/m1/s1.
What are the key properties of [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone is sourced from PubChem (CID 95218046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).