ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate

C22H26N4O3 — CID 109160228

IUPACethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3CCc4ccccc43)nc2)CC1
InChIInChI=1S/C22H26N4O3/c1-2-29-22(28)25-12-10-18(11-13-25)24-21(27)17-7-8-20(23-15-17)26-14-9-16-5-3-4-6-19(16)26/h3-8,15,18H,2,9-14H2,1H3,(H,24,27)
InChIKeyFJGJURZBRJUBIH-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.13
Rot. Bonds4

About ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109160228) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109160228
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Nameethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3CCc4ccccc43)nc2)CC1
InChIInChI=1S/C22H26N4O3/c1-2-29-22(28)25-12-10-18(11-13-25)24-21(27)17-7-8-20(23-15-17)26-14-9-16-5-3-4-6-19(16)26/h3-8,15,18H,2,9-14H2,1H3,(H,24,27)
InChIKeyFJGJURZBRJUBIH-UHFFFAOYSA-N
XLogP3.13
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108978650
6-(2,3-dihydroindol-1-yl)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84570390
6-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84570241
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818
ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate
CID 50964250
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956946
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 109160228) is ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCc4ccccc43)nc2)CC1.
What is the InChIKey of ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is FJGJURZBRJUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-29-22(28)25-12-10-18(11-13-25)24-21(27)17-7-8-20(23-15-17)26-14-9-16-5-3-4-6-19(16)26/h3-8,15,18H,2,9-14H2,1H3,(H,24,27).
What are the key properties of ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109160228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).