3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

C18H20N4O3 — CID 174173731

IUPAC3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(OCCc2cccc(C#N)c2)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H20N4O3/c1-3-21-17(23)14-10-15(16(22-14)18(24)20-2)25-8-7-12-5-4-6-13(9-12)11-19/h4-6,9-10,22H,3,7-8H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIRLQIZYBCJMLIX-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.62
Rot. Bonds7

About 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (PubChem CID 174173731) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
PubChem CID174173731
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(OCCc2cccc(C#N)c2)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H20N4O3/c1-3-21-17(23)14-10-15(16(22-14)18(24)20-2)25-8-7-12-5-4-6-13(9-12)11-19/h4-6,9-10,22H,3,7-8H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIRLQIZYBCJMLIX-UHFFFAOYSA-N
XLogP1.62
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735497
3-[2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyloxy)ethyl]benzonitrile
CID 20980555
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735483
3-propylbenzonitrile
CID 18415311
5-N-ethyl-2-N-methyl-3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735686
1-[(3-cyanobenzoyl)amino]-3-ethylthiourea
CID 7977611
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
3-[2-[[N-[(3-cyanophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633924
N-(2-amino-2-oxoethoxy)-3-cyanobenzamide
CID 112550783
N-[2-(3-cyanophenyl)ethyl]-4-methoxy-2,2-dimethylbutanamide
CID 100692833

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (CID 174173731) is 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is CCNC(=O)c1cc(OCCc2cccc(C#N)c2)c(C(=O)NC)[nH]1.
What is the InChIKey of 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is IRLQIZYBCJMLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-21-17(23)14-10-15(16(22-14)18(24)20-2)25-8-7-12-5-4-6-13(9-12)11-19/h4-6,9-10,22H,3,7-8H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 174173731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).