1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

C15H19ClN4O2 — CID 175163146

IUPAC1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCC(c1ccc(C#N)cc1)N1CC(C(N)=O)C(C(N)=O)C1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-9(11-4-2-10(6-16)3-5-11)19-7-12(14(17)20)13(8-19)15(18)21;/h2-5,9,12-13H,7-8H2,1H3,(H2,17,20)(H2,18,21);1H
InChIKeyIRYWPIPXQKGVAL-UHFFFAOYSA-N
MW322.80 g/mol
LogP0.56
Rot. Bonds4

About 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (PubChem CID 175163146) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
PubChem CID175163146
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCC(c1ccc(C#N)cc1)N1CC(C(N)=O)C(C(N)=O)C1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-9(11-4-2-10(6-16)3-5-11)19-7-12(14(17)20)13(8-19)15(18)21;/h2-5,9,12-13H,7-8H2,1H3,(H2,17,20)(H2,18,21);1H
InChIKeyIRYWPIPXQKGVAL-UHFFFAOYSA-N
XLogP0.56
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 175168204
4-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63596877
4-[(1R)-1-piperazin-1-ylethyl]benzonitrile
CID 93464434
4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 55170195
4-[1-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]benzonitrile
CID 66203853
(2S)-2-(4-cyanophenyl)propanoic acid
CID 70308713
4-[1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethyl]benzonitrile
CID 75523914
5-chloro-1-[1-(4-cyanophenyl)ethyl]-2-iminopyridine-3-carboxamide
CID 58150024
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[1-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]benzonitrile
CID 79736036
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (CID 175163146) is 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is CC(c1ccc(C#N)cc1)N1CC(C(N)=O)C(C(N)=O)C1.Cl.
What is the InChIKey of 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The InChIKey is IRYWPIPXQKGVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c1-9(11-4-2-10(6-16)3-5-11)19-7-12(14(17)20)13(8-19)15(18)21;/h2-5,9,12-13H,7-8H2,1H3,(H2,17,20)(H2,18,21);1H.
What are the key properties of 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 175163146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).