7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide

C17H17N3O2 — CID 110852178

IUPAC7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3ccncc3)c(C)[nH]c12
InChIInChI=1S/C17H17N3O2/c1-11-15(13-4-3-5-14(22-2)16(13)20-11)17(21)19-10-12-6-8-18-9-7-12/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyXKAFRNMGGJURCW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.81
Rot. Bonds4

About 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide

7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 110852178) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
PubChem CID110852178
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3ccncc3)c(C)[nH]c12
InChIInChI=1S/C17H17N3O2/c1-11-15(13-4-3-5-14(22-2)16(13)20-11)17(21)19-10-12-6-8-18-9-7-12/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyXKAFRNMGGJURCW-UHFFFAOYSA-N
XLogP2.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
7-methoxy-N-(3-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859939
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 110852044
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110864775
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide (CID 110852178) is 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide is COc1cccc2c(C(=O)NCc3ccncc3)c(C)[nH]c12.
What is the InChIKey of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is XKAFRNMGGJURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-15(13-4-3-5-14(22-2)16(13)20-11)17(21)19-10-12-6-8-18-9-7-12/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 110852178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).