[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone

C24H31N3O2 — CID 143843752

IUPAC[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone
SMILESCc1cccc(OC2CCC(C(=O)c3cccc(N4CCCN(C)CC4)n3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-6-3-7-20(16-18)29-21-11-10-19(17-21)24(28)22-8-4-9-23(25-22)27-13-5-12-26(2)14-15-27/h3-4,6-9,16,19,21H,5,10-15,17H2,1-2H3
InChIKeyXZWUQSLGCAFEMZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.96
Rot. Bonds5

About [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone

[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone (PubChem CID 143843752) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone.

Molecular Properties

Compound Name[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone
PubChem CID143843752
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone
SMILESCc1cccc(OC2CCC(C(=O)c3cccc(N4CCCN(C)CC4)n3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-6-3-7-20(16-18)29-21-11-10-19(17-21)24(28)22-8-4-9-23(25-22)27-13-5-12-26(2)14-15-27/h3-4,6-9,16,19,21H,5,10-15,17H2,1-2H3
InChIKeyXZWUQSLGCAFEMZ-UHFFFAOYSA-N
XLogP3.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone with MolForge

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Related Compounds

[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 134703286
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(2-methylphenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 68654981
6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053938
(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
CID 67738847
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 84574061
1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
CID 125446145
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
CID 62300509
[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 166259892
4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 75509918

Frequently Asked Questions

What is the IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone?
The IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone (CID 143843752) is [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone.
What is the SMILES notation for [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone?
The canonical SMILES for [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone is Cc1cccc(OC2CCC(C(=O)c3cccc(N4CCCN(C)CC4)n3)C2)c1.
What is the InChIKey of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone?
The InChIKey is XZWUQSLGCAFEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-6-3-7-20(16-18)29-21-11-10-19(17-21)24(28)22-8-4-9-23(25-22)27-13-5-12-26(2)14-15-27/h3-4,6-9,16,19,21H,5,10-15,17H2,1-2H3.
What are the key properties of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone?
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone has a molecular weight of 393.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone is sourced from PubChem (CID 143843752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).