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

C15H17N3O3 — CID 78982525

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CN1
InChIInChI=1S/C15H17N3O3/c19-13-7-10(8-16-13)15(21)18-12-5-3-11(4-6-12)17-14(20)9-1-2-9/h3-6,9-10H,1-2,7-8H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyDSLOPIYHBIXFKM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.11
Rot. Bonds4

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

N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982525) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982525
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CN1
InChIInChI=1S/C15H17N3O3/c19-13-7-10(8-16-13)15(21)18-12-5-3-11(4-6-12)17-14(20)9-1-2-9/h3-6,9-10H,1-2,7-8H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyDSLOPIYHBIXFKM-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982469
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78982525) is N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CN1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DSLOPIYHBIXFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13-7-10(8-16-13)15(21)18-12-5-3-11(4-6-12)17-14(20)9-1-2-9/h3-6,9-10H,1-2,7-8H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).