N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

C15H19N3O — CID 63715441

IUPACN-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNCC1C)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O/c1-10-8-17-9-14(10)15(19)18-11(2)13-5-3-12(7-16)4-6-13/h3-6,10-11,14,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyQYQJLNXENRHGLZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.59
Rot. Bonds3

About N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715441) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63715441
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNCC1C)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O/c1-10-8-17-9-14(10)15(19)18-11(2)13-5-3-12(7-16)4-6-13/h3-6,10-11,14,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyQYQJLNXENRHGLZ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81349399
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63715120
2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide
CID 64824319
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
CID 63715437
N-[1-(2-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228822
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 63715441) is N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is CC(NC(=O)C1CNCC1C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is QYQJLNXENRHGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-17-9-14(10)15(19)18-11(2)13-5-3-12(7-16)4-6-13/h3-6,10-11,14,17H,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).