N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide

C19H19Cl2N3O3 — CID 78862576

IUPACN-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C19H19Cl2N3O3/c20-13-10-14(21)12-15(11-13)22-19(27)16-4-3-8-24(16)18(26)6-9-23-7-2-1-5-17(23)25/h1-2,5,7,10-12,16H,3-4,6,8-9H2,(H,22,27)
InChIKeyPJZHXTORPGRBHW-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.17
Rot. Bonds5

About N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 78862576) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID78862576
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC NameN-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C19H19Cl2N3O3/c20-13-10-14(21)12-15(11-13)22-19(27)16-4-3-8-24(16)18(26)6-9-23-7-2-1-5-17(23)25/h1-2,5,7,10-12,16H,3-4,6,8-9H2,(H,22,27)
InChIKeyPJZHXTORPGRBHW-UHFFFAOYSA-N
XLogP3.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide (CID 78862576) is N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is PJZHXTORPGRBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c20-13-10-14(21)12-15(11-13)22-19(27)16-4-3-8-24(16)18(26)6-9-23-7-2-1-5-17(23)25/h1-2,5,7,10-12,16H,3-4,6,8-9H2,(H,22,27).
What are the key properties of N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 408.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78862576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).