4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

C21H23N3O5 — CID 31953617

IUPAC4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)c1
InChIInChI=1S/C21H23N3O5/c1-22-20(25)13-7-5-6-12(8-13)11-23-21(26)15-9-14-16(27-2)10-17(28-3)19(29-4)18(14)24-15/h5-10,24H,11H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyRCGHQIHPYRGOHE-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.48
Rot. Bonds7

About 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 31953617) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID31953617
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)c1
InChIInChI=1S/C21H23N3O5/c1-22-20(25)13-7-5-6-12(8-13)11-23-21(26)15-9-14-16(27-2)10-17(28-3)19(29-4)18(14)24-15/h5-10,24H,11H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyRCGHQIHPYRGOHE-UHFFFAOYSA-N
XLogP2.48
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39970249
4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950
3-[[[N-ethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111377728
N-methyl-3-[2-[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111632915
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 86968543
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 97230706

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 31953617) is 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is CNC(=O)c1cccc(CNC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)c1.
What is the InChIKey of 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is RCGHQIHPYRGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-22-20(25)13-7-5-6-12(8-13)11-23-21(26)15-9-14-16(27-2)10-17(28-3)19(29-4)18(14)24-15/h5-10,24H,11H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 31953617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).