6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide

C18H20N4O2 — CID 126761978

IUPAC6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCCc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC)c1
InChIInChI=1S/C18H20N4O2/c1-4-12-9-15-13(6-8-22(15)18(23)20-3)10-16(12)24-14-5-7-21-17(11-14)19-2/h5-11H,4H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyMBUXMQKGBNGUKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.62
Rot. Bonds4

About 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide

6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 126761978) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID126761978
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCCc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC)c1
InChIInChI=1S/C18H20N4O2/c1-4-12-9-15-13(6-8-22(15)18(23)20-3)10-16(12)24-14-5-7-21-17(11-14)19-2/h5-11H,4H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyMBUXMQKGBNGUKR-UHFFFAOYSA-N
XLogP3.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide (CID 126761978) is 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide is CCc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC)c1.
What is the InChIKey of 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is MBUXMQKGBNGUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-12-9-15-13(6-8-22(15)18(23)20-3)10-16(12)24-14-5-7-21-17(11-14)19-2/h5-11H,4H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 126761978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).