4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide

C29H33N5O3 — CID 126762251

IUPAC4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(NC)c5cc4OC)ccn3)cc2)CC1
InChIInChI=1S/C29H33N5O3/c1-4-33-14-10-21(11-15-33)20-5-7-22(8-6-20)29(35)32-28-18-24(9-13-31-28)37-27-17-23-12-16-34(30-2)25(23)19-26(27)36-3/h5-9,12-13,16-19,21,30H,4,10-11,14-15H2,1-3H3,(H,31,32,35)
InChIKeyCFDMLTVTVXGXIM-UHFFFAOYSA-N
MW499.62 g/mol
LogP5.46
Rot. Bonds8

About 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide

4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide (PubChem CID 126762251) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide
PubChem CID126762251
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(NC)c5cc4OC)ccn3)cc2)CC1
InChIInChI=1S/C29H33N5O3/c1-4-33-14-10-21(11-15-33)20-5-7-22(8-6-20)29(35)32-28-18-24(9-13-31-28)37-27-17-23-12-16-34(30-2)25(23)19-26(27)36-3/h5-9,12-13,16-19,21,30H,4,10-11,14-15H2,1-3H3,(H,31,32,35)
InChIKeyCFDMLTVTVXGXIM-UHFFFAOYSA-N
XLogP5.46
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide
CID 141411892
N-[4-[6-(3-methoxypropoxy)-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]-4-(1-methylazetidin-3-yl)benzamide
CID 126762310
6-methoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 90343905
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 78323433
5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide;propane
CID 145159187
4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide
CID 90348966
6-ethyl-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90367870
5-[[2-[[4-(1-ethylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-(3-fluoropropoxy)-2-methylindole-1-carboxamide
CID 90344130
N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
CID 90349017
5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
CID 90349008
3-fluoro-4-[4-[[4-[6-methoxy-1-(methylcarbamoyl)indol-5-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylic acid
CID 90342123
5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide
CID 90344109

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide (CID 126762251) is 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide is CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(NC)c5cc4OC)ccn3)cc2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide?
The InChIKey is CFDMLTVTVXGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-4-33-14-10-21(11-15-33)20-5-7-22(8-6-20)29(35)32-28-18-24(9-13-31-28)37-27-17-23-12-16-34(30-2)25(23)19-26(27)36-3/h5-9,12-13,16-19,21,30H,4,10-11,14-15H2,1-3H3,(H,31,32,35).
What are the key properties of 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide?
4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide has a molecular weight of 499.62 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 126762251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).