2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H13N5O2 — CID 58522289

IUPAC2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCNC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C16H13N5O2/c1-2-18-16(22)12-8-19-15-14(12)21-13(9-20-15)23-11-5-3-4-10(6-11)7-17/h3-6,8-9H,2H2,1H3,(H,18,22)(H,19,20)
InChIKeyWFGDEXSUFKYLNC-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.37
Rot. Bonds4

About 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522289) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522289
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCNC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C16H13N5O2/c1-2-18-16(22)12-8-19-15-14(12)21-13(9-20-15)23-11-5-3-4-10(6-11)7-17/h3-6,8-9H,2H2,1H3,(H,18,22)(H,19,20)
InChIKeyWFGDEXSUFKYLNC-UHFFFAOYSA-N
XLogP2.37
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E/Z)-2-Cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide
CID 122197584
Jak3-IN-5
CID 122362932
2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl)furan-2-Yl]-~{n},~{n}-Dimethyl-Prop-2-Enamide
CID 138108525
2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 67008828
2-(3,4-dimethoxyphenyl)-N-(1-hydroxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 44205825
N-(6-(pyrimidin-5-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
CID 44250360
3-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-phenylbenzamide
CID 52942278
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673763
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-cyclopropyl-ethyl)-amide
CID 54674056
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 54674369
2-(3-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766676
2-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766728

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522289) is 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCNC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12.
What is the InChIKey of 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WFGDEXSUFKYLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-2-18-16(22)12-8-19-15-14(12)21-13(9-20-15)23-11-5-3-4-10(6-11)7-17/h3-6,8-9H,2H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).