azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone

C24H34N4O — CID 46383931

IUPACazepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C24H34N4O/c1-18-10-14-26(15-11-18)23-9-8-21(17-25-23)28-19(2)16-22(20(28)3)24(29)27-12-6-4-5-7-13-27/h8-9,16-18H,4-7,10-15H2,1-3H3
InChIKeyZGIIOHAZXSHTMH-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.74
Rot. Bonds3

About azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone

azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone (PubChem CID 46383931) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone
PubChem CID46383931
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Nameazepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C24H34N4O/c1-18-10-14-26(15-11-18)23-9-8-21(17-25-23)28-19(2)16-22(20(28)3)24(29)27-12-6-4-5-7-13-27/h8-9,16-18H,4-7,10-15H2,1-3H3
InChIKeyZGIIOHAZXSHTMH-UHFFFAOYSA-N
XLogP4.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone with MolForge

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Related Compounds

[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 46383932
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 50827478
ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
CID 20930637
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110883810
1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354818
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110887179

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone?
The IUPAC name of azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone (CID 46383931) is azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone is Cc1cc(C(=O)N2CCCCCC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone?
The InChIKey is ZGIIOHAZXSHTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-18-10-14-26(15-11-18)23-9-8-21(17-25-23)28-19(2)16-22(20(28)3)24(29)27-12-6-4-5-7-13-27/h8-9,16-18H,4-7,10-15H2,1-3H3.
What are the key properties of azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone?
azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone has a molecular weight of 394.56 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 46383931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).