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

C29H32N4O3 — CID 141411892

IUPAC4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C)c5cc4OC)ccn3)cc2)CC1
InChIInChI=1S/C29H32N4O3/c1-4-33-15-11-21(12-16-33)20-5-7-22(8-6-20)29(34)31-28-18-24(9-13-30-28)36-27-17-23-10-14-32(2)25(23)19-26(27)35-3/h5-10,13-14,17-19,21H,4,11-12,15-16H2,1-3H3,(H,30,31,34)
InChIKeyMULJUVRTDHTQHM-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.83
Rot. Bonds7

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

4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide (PubChem CID 141411892) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide
PubChem CID141411892
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C)c5cc4OC)ccn3)cc2)CC1
InChIInChI=1S/C29H32N4O3/c1-4-33-15-11-21(12-16-33)20-5-7-22(8-6-20)29(34)31-28-18-24(9-13-30-28)36-27-17-23-10-14-32(2)25(23)19-26(27)35-3/h5-10,13-14,17-19,21H,4,11-12,15-16H2,1-3H3,(H,30,31,34)
InChIKeyMULJUVRTDHTQHM-UHFFFAOYSA-N
XLogP5.83
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide
CID 126762251
4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide
CID 90348966
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 78323433
6-methoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 90343905
5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide;propane
CID 145159187
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
4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide
CID 145020757
5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide
CID 90344109
N-[4-[6-(3-methoxypropoxy)-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]-4-(1-methylazetidin-3-yl)benzamide
CID 126762310
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

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide (CID 141411892) is 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide is CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C)c5cc4OC)ccn3)cc2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide?
The InChIKey is MULJUVRTDHTQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-4-33-15-11-21(12-16-33)20-5-7-22(8-6-20)29(34)31-28-18-24(9-13-30-28)36-27-17-23-10-14-32(2)25(23)19-26(27)35-3/h5-10,13-14,17-19,21H,4,11-12,15-16H2,1-3H3,(H,30,31,34).
What are the key properties of 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide?
4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 141411892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).