5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

C20H20N4O3 — CID 166380387

IUPAC5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1
InChIInChI=1S/C20H20N4O3/c1-13-3-2-4-17(21-13)20(27)24-9-7-23(8-10-24)19(26)14-5-6-16-15(11-14)12-18(25)22-16/h2-6,11H,7-10,12H2,1H3,(H,22,25)
InChIKeyBENJCCVYTRKBDO-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.48
Rot. Bonds2

About 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 166380387) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID166380387
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1
InChIInChI=1S/C20H20N4O3/c1-13-3-2-4-17(21-13)20(27)24-9-7-23(8-10-24)19(26)14-5-6-16-15(11-14)12-18(25)22-16/h2-6,11H,7-10,12H2,1H3,(H,22,25)
InChIKeyBENJCCVYTRKBDO-UHFFFAOYSA-N
XLogP1.48
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809003
5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 108809070
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (CID 166380387) is 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is Cc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1.
What is the InChIKey of 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is BENJCCVYTRKBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-3-2-4-17(21-13)20(27)24-9-7-23(8-10-24)19(26)14-5-6-16-15(11-14)12-18(25)22-16/h2-6,11H,7-10,12H2,1H3,(H,22,25).
What are the key properties of 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 166380387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).