N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide

C15H19N3O2 — CID 107467735

IUPACN-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(C#N)cccc2OC)CCCN1
InChIInChI=1S/C15H19N3O2/c1-3-15(8-5-9-17-15)14(19)18-13-11(10-16)6-4-7-12(13)20-2/h4,6-7,17H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyILWRFERYTUGJHS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.04
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide

N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 107467735) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID107467735
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(C#N)cccc2OC)CCCN1
InChIInChI=1S/C15H19N3O2/c1-3-15(8-5-9-17-15)14(19)18-13-11(10-16)6-4-7-12(13)20-2/h4,6-7,17H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyILWRFERYTUGJHS-UHFFFAOYSA-N
XLogP2.04
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071648
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 83079717
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83062907
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide (CID 107467735) is N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2c(C#N)cccc2OC)CCCN1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is ILWRFERYTUGJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-15(8-5-9-17-15)14(19)18-13-11(10-16)6-4-7-12(13)20-2/h4,6-7,17H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107467735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).