N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C15H17N3O3 — CID 78982521

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CN1
InChIInChI=1S/C15H17N3O3/c19-13-7-10(8-16-13)15(21)18-11-3-1-9(2-4-11)14(20)17-12-5-6-12/h1-4,10,12H,5-8H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyAIAVDTJEPGRZMM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.65
Rot. Bonds4

About N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982521) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982521
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CN1
InChIInChI=1S/C15H17N3O3/c19-13-7-10(8-16-13)15(21)18-11-3-1-9(2-4-11)14(20)17-12-5-6-12/h1-4,10,12H,5-8H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyAIAVDTJEPGRZMM-UHFFFAOYSA-N
XLogP0.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119713611
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78982521) is N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CN1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AIAVDTJEPGRZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13-7-10(8-16-13)15(21)18-11-3-1-9(2-4-11)14(20)17-12-5-6-12/h1-4,10,12H,5-8H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).