6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C31H35N5O6 — CID 90344047

IUPAC6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CCO)C3)cc2)c1
InChIInChI=1S/C31H35N5O6/c1-3-40-14-15-41-27-18-26-23(9-11-36(26)31(39)32-2)16-28(27)42-25-8-10-33-29(17-25)34-30(38)22-6-4-21(5-7-22)24-19-35(20-24)12-13-37/h4-11,16-18,24,37H,3,12-15,19-20H2,1-2H3,(H,32,39)(H,33,34,38)
InChIKeyYCLDJRCTMCJCAD-UHFFFAOYSA-N
MW573.65 g/mol
LogP4.08
Rot. Bonds12

About 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 90344047) has the molecular formula C31H35N5O6 and a molecular weight of 573.65 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
PubChem CID90344047
Molecular FormulaC31H35N5O6
Molecular Weight573.65 g/mol
Exact Mass573.26
IUPAC Name6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CCO)C3)cc2)c1
InChIInChI=1S/C31H35N5O6/c1-3-40-14-15-41-27-18-26-23(9-11-36(26)31(39)32-2)16-28(27)42-25-8-10-33-29(17-25)34-30(38)22-6-4-21(5-7-22)24-19-35(20-24)12-13-37/h4-11,16-18,24,37H,3,12-15,19-20H2,1-2H3,(H,32,39)(H,33,34,38)
InChIKeyYCLDJRCTMCJCAD-UHFFFAOYSA-N
XLogP4.08
TPSA127.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The IUPAC name of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 90344047) is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.
What is the SMILES notation for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The canonical SMILES for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CCO)C3)cc2)c1.
What is the InChIKey of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The InChIKey is YCLDJRCTMCJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O6/c1-3-40-14-15-41-27-18-26-23(9-11-36(26)31(39)32-2)16-28(27)42-25-8-10-33-29(17-25)34-30(38)22-6-4-21(5-7-22)24-19-35(20-24)12-13-37/h4-11,16-18,24,37H,3,12-15,19-20H2,1-2H3,(H,32,39)(H,33,34,38).
What are the key properties of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 573.65 g/mol, XLogP of 4.08, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 90344047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).