3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide

C15H18N4O2 — CID 175163144

IUPAC3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
SMILESN#Cc1ccc(CCNC(=O)C2CNCC2C(N)=O)cc1
InChIInChI=1S/C15H18N4O2/c16-7-11-3-1-10(2-4-11)5-6-19-15(21)13-9-18-8-12(13)14(17)20/h1-4,12-13,18H,5-6,8-9H2,(H2,17,20)(H,19,21)
InChIKeyVAXFRYBRWOQEFQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.46
Rot. Bonds5

About 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide

3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 175163144) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
PubChem CID175163144
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
SMILESN#Cc1ccc(CCNC(=O)C2CNCC2C(N)=O)cc1
InChIInChI=1S/C15H18N4O2/c16-7-11-3-1-10(2-4-11)5-6-19-15(21)13-9-18-8-12(13)14(17)20/h1-4,12-13,18H,5-6,8-9H2,(H2,17,20)(H,19,21)
InChIKeyVAXFRYBRWOQEFQ-UHFFFAOYSA-N
XLogP-0.46
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63715120
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
CID 158144614
4-N-(4-cyanophenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149126
3-[2-(4-cyanophenyl)ethylamino]-3-oxopropanoic acid
CID 19926322
N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
(3S,4S)-4-[4-(4-methoxyphenyl)butanoyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 160762514

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide (CID 175163144) is 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide is N#Cc1ccc(CCNC(=O)C2CNCC2C(N)=O)cc1.
What is the InChIKey of 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is VAXFRYBRWOQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-7-11-3-1-10(2-4-11)5-6-19-15(21)13-9-18-8-12(13)14(17)20/h1-4,12-13,18H,5-6,8-9H2,(H2,17,20)(H,19,21).
What are the key properties of 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 286.33 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 175163144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).