ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate

C22H22N4O5 — CID 91582887

IUPACethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C22H22N4O5/c1-2-31-22(29)19-18(15-5-3-4-6-16(15)24-19)25-20(27)14-7-8-17(23-13-14)21(28)26-9-11-30-12-10-26/h3-8,13,24H,2,9-12H2,1H3,(H,25,27)
InChIKeyGZZXJHKBCGGJJS-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.46
Rot. Bonds5

About ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate

ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate (PubChem CID 91582887) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate
PubChem CID91582887
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Nameethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C22H22N4O5/c1-2-31-22(29)19-18(15-5-3-4-6-16(15)24-19)25-20(27)14-7-8-17(23-13-14)21(28)26-9-11-30-12-10-26/h3-8,13,24H,2,9-12H2,1H3,(H,25,27)
InChIKeyGZZXJHKBCGGJJS-UHFFFAOYSA-N
XLogP2.46
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate (CID 91582887) is ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C(=O)N2CCOCC2)nc1.
What is the InChIKey of ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate?
The InChIKey is GZZXJHKBCGGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-2-31-22(29)19-18(15-5-3-4-6-16(15)24-19)25-20(27)14-7-8-17(23-13-14)21(28)26-9-11-30-12-10-26/h3-8,13,24H,2,9-12H2,1H3,(H,25,27).
What are the key properties of ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate?
ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate has a molecular weight of 422.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 91582887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).