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

C18H24N4O2 — CID 168892814

IUPAC5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane
SMILESCC.N#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)NC1CC1
InChIInChI=1S/C16H18N4O2.C2H6/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;1-2/h1-5,11,13-14H,6-8,10H2,(H,18,21)(H,19,22);1-2H3
InChIKeyRVNJNTVODJKLLI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.74
Rot. Bonds3

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

5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane (PubChem CID 168892814) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane.

Molecular Properties

Compound Name5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane
PubChem CID168892814
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane
SMILESCC.N#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)NC1CC1
InChIInChI=1S/C16H18N4O2.C2H6/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;1-2/h1-5,11,13-14H,6-8,10H2,(H,18,21)(H,19,22);1-2H3
InChIKeyRVNJNTVODJKLLI-UHFFFAOYSA-N
XLogP2.74
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.74
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
CID 168892815
5-cyano-1-(3-oxopropanoyl)-N-phenylpyrrolidine-3-carboxamide
CID 166487898
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
tert-butyl N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 167074923
benzyl N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 167075310
5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 167446105
butane;5-cyano-1-[2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 163372882
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
N'-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-(2-hydroxy-2-methylpropyl)-N'-methylpropanediamide;2-methylpropane
CID 168880647
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylquinoline-6-carboxamide
CID 167075264

Frequently Asked Questions

What is the IUPAC name of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane?
The IUPAC name of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane (CID 168892814) is 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane.
What is the SMILES notation for 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane?
The canonical SMILES for 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane is CC.N#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)NC1CC1.
What is the InChIKey of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane?
The InChIKey is RVNJNTVODJKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.C2H6/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;1-2/h1-5,11,13-14H,6-8,10H2,(H,18,21)(H,19,22);1-2H3.
What are the key properties of 5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane?
5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane has a molecular weight of 328.42 g/mol, XLogP of 2.74, 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;ethane is sourced from PubChem (CID 168892814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).