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

C33H36N6O3 — CID 58968043

IUPAC7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12
InChIInChI=1S/C33H36N6O3/c1-23-6-3-7-24(20-23)21-35-32(40)28-22-39(30-27(28)8-4-9-29(30)41-2)17-5-16-38-18-12-26(13-19-38)33-36-31(37-42-33)25-10-14-34-15-11-25/h3-4,6-11,14-15,20,22,26H,5,12-13,16-19,21H2,1-2H3,(H,35,40)
InChIKeyDPKJMPHLWYYBLR-UHFFFAOYSA-N
MW564.69 g/mol
LogP5.60
Rot. Bonds10

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

7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (PubChem CID 58968043) has the molecular formula C33H36N6O3 and a molecular weight of 564.69 g/mol. Its IUPAC name is 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
PubChem CID58968043
Molecular FormulaC33H36N6O3
Molecular Weight564.69 g/mol
Exact Mass564.28
IUPAC Name7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12
InChIInChI=1S/C33H36N6O3/c1-23-6-3-7-24(20-23)21-35-32(40)28-22-39(30-27(28)8-4-9-29(30)41-2)17-5-16-38-18-12-26(13-19-38)33-36-31(37-42-33)25-10-14-34-15-11-25/h3-4,6-11,14-15,20,22,26H,5,12-13,16-19,21H2,1-2H3,(H,35,40)
InChIKeyDPKJMPHLWYYBLR-UHFFFAOYSA-N
XLogP5.60
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (CID 58968043) is 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.
What is the InChIKey of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The InChIKey is DPKJMPHLWYYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O3/c1-23-6-3-7-24(20-23)21-35-32(40)28-22-39(30-27(28)8-4-9-29(30)41-2)17-5-16-38-18-12-26(13-19-38)33-36-31(37-42-33)25-10-14-34-15-11-25/h3-4,6-11,14-15,20,22,26H,5,12-13,16-19,21H2,1-2H3,(H,35,40).
What are the key properties of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide has a molecular weight of 564.69 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 58968043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).