5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide

C16H18N4O2 — CID 168892815

IUPAC5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide
SMILESN#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)NC1CC1
InChIInChI=1S/C16H18N4O2/c17-9-14-8-11(10-20(14)16(22)19-13-6-7-13)15(21)18-12-4-2-1-3-5-12/h1-5,11,13-14H,6-8,10H2,(H,18,21)(H,19,22)
InChIKeyNKCDIMZIRCTVKO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.71
Rot. Bonds3

About 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide

5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide (PubChem CID 168892815) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide
PubChem CID168892815
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide
SMILESN#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)NC1CC1
InChIInChI=1S/C16H18N4O2/c17-9-14-8-11(10-20(14)16(22)19-13-6-7-13)15(21)18-12-4-2-1-3-5-12/h1-5,11,13-14H,6-8,10H2,(H,18,21)(H,19,22)
InChIKeyNKCDIMZIRCTVKO-UHFFFAOYSA-N
XLogP1.71
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane
CID 168892814
5-cyano-1-(3-oxopropanoyl)-N-phenylpyrrolidine-3-carboxamide
CID 166487898
N'-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-phenyl-N'-(2,2,2-trifluoroethyl)oxamide
CID 166487967
5-cyano-1-[2-[methyl-[(E)-3-phenylprop-2-enoyl]amino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 163372804
(5S)-1-[2-[(4-chlorobenzoyl)-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 167075561
5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 167446105
benzyl N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 167075310
tert-butyl N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 167074923
butane;5-cyano-1-[2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 163372882
2-N-cyclopropyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109130904
1-[2-[[3-amino-2-(tert-butyliminomethyl)prop-2-enoyl]-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 174008983
benzyl N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 163372771

Frequently Asked Questions

What is the IUPAC name of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide (CID 168892815) is 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide is N#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)NC1CC1.
What is the InChIKey of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide?
The InChIKey is NKCDIMZIRCTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-9-14-8-11(10-20(14)16(22)19-13-6-7-13)15(21)18-12-4-2-1-3-5-12/h1-5,11,13-14H,6-8,10H2,(H,18,21)(H,19,22).
What are the key properties of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide?
5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 168892815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).