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

C18H19N3O2 — CID 71937920

IUPACN-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C18H19N3O2/c1-12(13-6-8-14(23-3)9-7-13)21(2)18(22)16-11-20-17-15(16)5-4-10-19-17/h4-12H,1-3H3,(H,19,20)
InChIKeySALIPZJUHZJIQQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds4

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

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 71937920) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID71937920
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C18H19N3O2/c1-12(13-6-8-14(23-3)9-7-13)21(2)18(22)16-11-20-17-15(16)5-4-10-19-17/h4-12H,1-3H3,(H,19,20)
InChIKeySALIPZJUHZJIQQ-UHFFFAOYSA-N
XLogP3.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858407
N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 120829117
3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75869929
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 104784944
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520
N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 75405120
(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 62919036
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 71937920) is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccc(C(C)N(C)C(=O)c2c[nH]c3ncccc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is SALIPZJUHZJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(13-6-8-14(23-3)9-7-13)21(2)18(22)16-11-20-17-15(16)5-4-10-19-17/h4-12H,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71937920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).