6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C31H35N5O6 — CID 90367910

IUPAC6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCO)cc21
InChIInChI=1S/C31H35N5O6/c1-32-31(40)36-13-9-24-18-28(27(20-26(24)36)41-17-16-38)42-25-6-10-33-29(19-25)34-30(39)23-4-2-21(3-5-23)22-7-11-35(12-8-22)14-15-37/h2-6,9-10,13,18-20,22,37-38H,7-8,11-12,14-17H2,1H3,(H,32,40)(H,33,34,39)
InChIKeyXSFHSBDHUMMKQC-UHFFFAOYSA-N
MW573.65 g/mol
LogP3.81
Rot. Bonds10

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

6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 90367910) has the molecular formula C31H35N5O6 and a molecular weight of 573.65 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
PubChem CID90367910
Molecular FormulaC31H35N5O6
Molecular Weight573.65 g/mol
Exact Mass573.26
IUPAC Name6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCO)cc21
InChIInChI=1S/C31H35N5O6/c1-32-31(40)36-13-9-24-18-28(27(20-26(24)36)41-17-16-38)42-25-6-10-33-29(19-25)34-30(39)23-4-2-21(3-5-23)22-7-11-35(12-8-22)14-15-37/h2-6,9-10,13,18-20,22,37-38H,7-8,11-12,14-17H2,1H3,(H,32,40)(H,33,34,39)
InChIKeyXSFHSBDHUMMKQC-UHFFFAOYSA-N
XLogP3.81
TPSA138.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The IUPAC name of 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 90367910) is 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The canonical SMILES for 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCO)cc21.
What is the InChIKey of 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The InChIKey is XSFHSBDHUMMKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O6/c1-32-31(40)36-13-9-24-18-28(27(20-26(24)36)41-17-16-38)42-25-6-10-33-29(19-25)34-30(39)23-4-2-21(3-5-23)22-7-11-35(12-8-22)14-15-37/h2-6,9-10,13,18-20,22,37-38H,7-8,11-12,14-17H2,1H3,(H,32,40)(H,33,34,39).
What are the key properties of 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 573.65 g/mol, XLogP of 3.81, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 90367910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).