[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

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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).