7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide

C27H33N3O2 — CID 10181182

IUPAC7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC3C4(C)CCC(C4)C3(C)C)c(C)n(Cc3cccnc3)c12
InChIInChI=1S/C27H33N3O2/c1-17-22(24(31)29-25-26(2,3)19-11-12-27(25,4)14-19)20-9-6-10-21(32-5)23(20)30(17)16-18-8-7-13-28-15-18/h6-10,13,15,19,25H,11-12,14,16H2,1-5H3,(H,29,31)
InChIKeyXWRHWCKKYSXXDL-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.35
Rot. Bonds5

About 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide

7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (PubChem CID 10181182) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
PubChem CID10181182
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC3C4(C)CCC(C4)C3(C)C)c(C)n(Cc3cccnc3)c12
InChIInChI=1S/C27H33N3O2/c1-17-22(24(31)29-25-26(2,3)19-11-12-27(25,4)14-19)20-9-6-10-21(32-5)23(20)30(17)16-18-8-7-13-28-15-18/h6-10,13,15,19,25H,11-12,14,16H2,1-5H3,(H,29,31)
InChIKeyXWRHWCKKYSXXDL-UHFFFAOYSA-N
XLogP5.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (CID 10181182) is 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is COc1cccc2c(C(=O)NC3C4(C)CCC(C4)C3(C)C)c(C)n(Cc3cccnc3)c12.
What is the InChIKey of 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The InChIKey is XWRHWCKKYSXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-17-22(24(31)29-25-26(2,3)19-11-12-27(25,4)14-19)20-9-6-10-21(32-5)23(20)30(17)16-18-8-7-13-28-15-18/h6-10,13,15,19,25H,11-12,14,16H2,1-5H3,(H,29,31).
What are the key properties of 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is sourced from PubChem (CID 10181182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).