N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide

C15H19N3O — CID 107805121

IUPACN-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(C)c2C#N)CCCN1
InChIInChI=1S/C15H19N3O/c1-3-15(8-5-9-17-15)14(19)18-13-7-4-6-11(2)12(13)10-16/h4,6-7,17H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeySLOXHBCVJBDJEG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.34
Rot. Bonds3

About N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide

N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 107805121) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID107805121
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(C)c2C#N)CCCN1
InChIInChI=1S/C15H19N3O/c1-3-15(8-5-9-17-15)14(19)18-13-7-4-6-11(2)12(13)10-16/h4,6-7,17H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeySLOXHBCVJBDJEG-UHFFFAOYSA-N
XLogP2.34
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
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
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83063260
2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 83079717
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107467735
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide (CID 107805121) is N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cccc(C)c2C#N)CCCN1.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is SLOXHBCVJBDJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-15(8-5-9-17-15)14(19)18-13-7-4-6-11(2)12(13)10-16/h4,6-7,17H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107805121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).