N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C17H17N3O2 — CID 53162853

IUPACN-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)c3ncccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-20-11-15(14-4-3-9-18-16(14)20)17(21)19-10-12-5-7-13(22-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyHINWXFZYQVMCMS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.51
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162853) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162853
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)c3ncccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-20-11-15(14-4-3-9-18-16(14)20)17(21)19-10-12-5-7-13(22-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyHINWXFZYQVMCMS-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
4-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189785
1-ethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162947
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162853) is N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cn(C)c3ncccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HINWXFZYQVMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-11-15(14-4-3-9-18-16(14)20)17(21)19-10-12-5-7-13(22-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).