4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide

C18H19N3O4 — CID 113206742

IUPAC4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCc3ccncc3)c2c(OC)c1OC
InChIInChI=1S/C18H19N3O4/c1-23-14-8-13-15(17(25-3)16(14)24-2)12(10-20-13)18(22)21-9-11-4-6-19-7-5-11/h4-8,10,20H,9H2,1-3H3,(H,21,22)
InChIKeyJJXBMGUQBAMZJR-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.52
Rot. Bonds6

About 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide

4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 113206742) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
PubChem CID113206742
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCc3ccncc3)c2c(OC)c1OC
InChIInChI=1S/C18H19N3O4/c1-23-14-8-13-15(17(25-3)16(14)24-2)12(10-20-13)18(22)21-9-11-4-6-19-7-5-11/h4-8,10,20H,9H2,1-3H3,(H,21,22)
InChIKeyJJXBMGUQBAMZJR-UHFFFAOYSA-N
XLogP2.52
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206750
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
CID 113206791
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide (CID 113206742) is 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)NCc3ccncc3)c2c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is JJXBMGUQBAMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-14-8-13-15(17(25-3)16(14)24-2)12(10-20-13)18(22)21-9-11-4-6-19-7-5-11/h4-8,10,20H,9H2,1-3H3,(H,21,22).
What are the key properties of 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).