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

C25H26N2O2 — CID 56862935

IUPAC[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(CO)cc2)nc1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C25H26N2O2/c28-18-19-8-10-22(11-9-19)24-13-12-23(17-26-24)25(29)27-15-4-7-21(14-16-27)20-5-2-1-3-6-20/h1-3,5-6,8-13,17,21,28H,4,7,14-16,18H2
InChIKeyJSSJZOTXHCZCSC-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.65
Rot. Bonds4

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

[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (PubChem CID 56862935) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
PubChem CID56862935
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(CO)cc2)nc1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C25H26N2O2/c28-18-19-8-10-22(11-9-19)24-13-12-23(17-26-24)25(29)27-15-4-7-21(14-16-27)20-5-2-1-3-6-20/h1-3,5-6,8-13,17,21,28H,4,7,14-16,18H2
InChIKeyJSSJZOTXHCZCSC-UHFFFAOYSA-N
XLogP4.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
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
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623
[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
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
N,N-dimethyl-2-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 95206898
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101

Frequently Asked Questions

What is the IUPAC name of [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The IUPAC name of [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (CID 56862935) is [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is O=C(c1ccc(-c2ccc(CO)cc2)nc1)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The InChIKey is JSSJZOTXHCZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-18-19-8-10-22(11-9-19)24-13-12-23(17-26-24)25(29)27-15-4-7-21(14-16-27)20-5-2-1-3-6-20/h1-3,5-6,8-13,17,21,28H,4,7,14-16,18H2.
What are the key properties of [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 56862935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).