7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide

C29H36N6O3 — CID 58967829

IUPAC7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
InChIInChI=1S/C29H36N6O3/c1-20(2)17-31-28(36)24-19-35(26-23(24)8-4-9-25(26)37-3)14-6-13-34-15-10-21(11-16-34)29-32-27(33-38-29)22-7-5-12-30-18-22/h4-5,7-9,12,18-21H,6,10-11,13-17H2,1-3H3,(H,31,36)
InChIKeyYFBFOHHDHJUBHW-UHFFFAOYSA-N
MW516.65 g/mol
LogP4.75
Rot. Bonds10

About 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide

7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (PubChem CID 58967829) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
PubChem CID58967829
Molecular FormulaC29H36N6O3
Molecular Weight516.65 g/mol
Exact Mass516.28
IUPAC Name7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
InChIInChI=1S/C29H36N6O3/c1-20(2)17-31-28(36)24-19-35(26-23(24)8-4-9-25(26)37-3)14-6-13-34-15-10-21(11-16-34)29-32-27(33-38-29)22-7-5-12-30-18-22/h4-5,7-9,12,18-21H,6,10-11,13-17H2,1-3H3,(H,31,36)
InChIKeyYFBFOHHDHJUBHW-UHFFFAOYSA-N
XLogP4.75
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (CID 58967829) is 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.
What is the InChIKey of 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The InChIKey is YFBFOHHDHJUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3/c1-20(2)17-31-28(36)24-19-35(26-23(24)8-4-9-25(26)37-3)14-6-13-34-15-10-21(11-16-34)29-32-27(33-38-29)22-7-5-12-30-18-22/h4-5,7-9,12,18-21H,6,10-11,13-17H2,1-3H3,(H,31,36).
What are the key properties of 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-methylpropyl)-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 58967829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).