N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide

C18H19N3O3 — CID 53162905

IUPACN-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c2cccnc21
InChIInChI=1S/C18H19N3O3/c1-4-21-11-14(13-6-5-9-19-17(13)21)18(22)20-12-7-8-15(23-2)16(10-12)24-3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyDVSYKUWVJQYLIB-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.33
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162905) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162905
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c2cccnc21
InChIInChI=1S/C18H19N3O3/c1-4-21-11-14(13-6-5-9-19-17(13)21)18(22)20-12-7-8-15(23-2)16(10-12)24-3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyDVSYKUWVJQYLIB-UHFFFAOYSA-N
XLogP3.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162930
N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619926
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
N-(3-acetamidophenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 3237553
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 53173071
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
1-ethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162947
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162905) is N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c2cccnc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is DVSYKUWVJQYLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-21-11-14(13-6-5-9-19-17(13)21)18(22)20-12-7-8-15(23-2)16(10-12)24-3/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).