6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide

C30H33N5O5 — CID 90343702

IUPAC6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OCCOC)cc21
InChIInChI=1S/C30H33N5O5/c1-31-30(37)35-14-10-23-17-27(26(19-25(23)35)39-16-15-38-2)40-24-9-13-33-28(18-24)34-29(36)22-5-3-20(4-6-22)21-7-11-32-12-8-21/h3-6,9-10,13-14,17-19,21,32H,7-8,11-12,15-16H2,1-2H3,(H,31,37)(H,33,34,36)
InChIKeyLDJQILNZENZMON-UHFFFAOYSA-N
MW543.62 g/mol
LogP4.76
Rot. Bonds9

About 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide

6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 90343702) has the molecular formula C30H33N5O5 and a molecular weight of 543.62 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID90343702
Molecular FormulaC30H33N5O5
Molecular Weight543.62 g/mol
Exact Mass543.25
IUPAC Name6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OCCOC)cc21
InChIInChI=1S/C30H33N5O5/c1-31-30(37)35-14-10-23-17-27(26(19-25(23)35)39-16-15-38-2)40-24-9-13-33-28(18-24)34-29(36)22-5-3-20(4-6-22)21-7-11-32-12-8-21/h3-6,9-10,13-14,17-19,21,32H,7-8,11-12,15-16H2,1-2H3,(H,31,37)(H,33,34,36)
InChIKeyLDJQILNZENZMON-UHFFFAOYSA-N
XLogP4.76
TPSA115.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (CID 90343702) is 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OCCOC)cc21.
What is the InChIKey of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is LDJQILNZENZMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5/c1-31-30(37)35-14-10-23-17-27(26(19-25(23)35)39-16-15-38-2)40-24-9-13-33-28(18-24)34-29(36)22-5-3-20(4-6-22)21-7-11-32-12-8-21/h3-6,9-10,13-14,17-19,21,32H,7-8,11-12,15-16H2,1-2H3,(H,31,37)(H,33,34,36).
What are the key properties of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 543.62 g/mol, XLogP of 4.76, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 90343702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).