1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide

C25H25N3O4 — CID 172676855

IUPAC1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide
SMILESCOc1cc(-c2ccc(CNC(=O)c3cn(C)c4ccccc34)nc2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-28-15-20(19-7-5-6-8-21(19)28)25(29)27-14-18-10-9-16(13-26-18)17-11-22(30-2)24(32-4)23(12-17)31-3/h5-13,15H,14H2,1-4H3,(H,27,29)
InChIKeyHHIWATXLLOEBAI-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.20
Rot. Bonds7

About 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide

1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide (PubChem CID 172676855) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide
PubChem CID172676855
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide
SMILESCOc1cc(-c2ccc(CNC(=O)c3cn(C)c4ccccc34)nc2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-28-15-20(19-7-5-6-8-21(19)28)25(29)27-14-18-10-9-16(13-26-18)17-11-22(30-2)24(32-4)23(12-17)31-3/h5-13,15H,14H2,1-4H3,(H,27,29)
InChIKeyHHIWATXLLOEBAI-UHFFFAOYSA-N
XLogP4.20
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
(E)-1-(1-methylindol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 56657919
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 10570003
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide (CID 172676855) is 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide is COc1cc(-c2ccc(CNC(=O)c3cn(C)c4ccccc34)nc2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide?
The InChIKey is HHIWATXLLOEBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-28-15-20(19-7-5-6-8-21(19)28)25(29)27-14-18-10-9-16(13-26-18)17-11-22(30-2)24(32-4)23(12-17)31-3/h5-13,15H,14H2,1-4H3,(H,27,29).
What are the key properties of 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide?
1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 172676855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).