[3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone

C24H25N3O2 — CID 122571578

IUPAC[3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccccc1N1CCCN(C(=O)c2cccc(-c3ccc(O)cn3)c2)CC1
InChIInChI=1S/C24H25N3O2/c1-18-6-2-3-9-23(18)26-12-5-13-27(15-14-26)24(29)20-8-4-7-19(16-20)22-11-10-21(28)17-25-22/h2-4,6-11,16-17,28H,5,12-15H2,1H3
InChIKeyMTZRMZFIVMBOHI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.12
Rot. Bonds3

About [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone

[3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone (PubChem CID 122571578) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
PubChem CID122571578
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccccc1N1CCCN(C(=O)c2cccc(-c3ccc(O)cn3)c2)CC1
InChIInChI=1S/C24H25N3O2/c1-18-6-2-3-9-23(18)26-12-5-13-27(15-14-26)24(29)20-8-4-7-19(16-20)22-11-10-21(28)17-25-22/h2-4,6-11,16-17,28H,5,12-15H2,1H3
InChIKeyMTZRMZFIVMBOHI-UHFFFAOYSA-N
XLogP4.12
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9153319
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 9153252
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 9152175
[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-[3-(5-hydroxy-2-pyridinyl)phenyl]methanone
CID 122557992
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969950
[3-(1,3-dihydroisoindol-2-yl)phenyl]-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone;formic acid
CID 154915059

Frequently Asked Questions

What is the IUPAC name of [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone (CID 122571578) is [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone is Cc1ccccc1N1CCCN(C(=O)c2cccc(-c3ccc(O)cn3)c2)CC1.
What is the InChIKey of [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is MTZRMZFIVMBOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-6-2-3-9-23(18)26-12-5-13-27(15-14-26)24(29)20-8-4-7-19(16-20)22-11-10-21(28)17-25-22/h2-4,6-11,16-17,28H,5,12-15H2,1H3.
What are the key properties of [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
[3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 122571578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).