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

C25H26N2O2 — CID 56864623

IUPAC[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C25H26N2O2/c1-29-23-11-5-9-21(17-23)24-13-12-22(18-26-24)25(28)27-15-6-10-20(14-16-27)19-7-3-2-4-8-19/h2-5,7-9,11-13,17-18,20H,6,10,14-16H2,1H3
InChIKeyFWWCGNNVOWQBQL-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.17
Rot. Bonds4

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

[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (PubChem CID 56864623) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
PubChem CID56864623
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C25H26N2O2/c1-29-23-11-5-9-21(17-23)24-13-12-22(18-26-24)25(28)27-15-6-10-20(14-16-27)19-7-3-2-4-8-19/h2-5,7-9,11-13,17-18,20H,6,10,14-16H2,1H3
InChIKeyFWWCGNNVOWQBQL-UHFFFAOYSA-N
XLogP5.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95218046
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151630
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The IUPAC name of [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (CID 56864623) is [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is COc1cccc(-c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)c1.
What is the InChIKey of [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The InChIKey is FWWCGNNVOWQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-23-11-5-9-21(17-23)24-13-12-22(18-26-24)25(28)27-15-6-10-20(14-16-27)19-7-3-2-4-8-19/h2-5,7-9,11-13,17-18,20H,6,10,14-16H2,1H3.
What are the key properties of [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 56864623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).