N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide

C19H18F3N3O3 — CID 17443925

IUPACN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESO=C(CCn1cc(C(F)(F)F)ccc1=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)13-3-8-17(27)24(12-13)11-9-16(26)23-14-4-6-15(7-5-14)25-10-1-2-18(25)28/h3-8,12H,1-2,9-11H2,(H,23,26)
InChIKeyUDJPNEPXBNUNIJ-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 17443925) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID17443925
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESO=C(CCn1cc(C(F)(F)F)ccc1=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)13-3-8-17(27)24(12-13)11-9-16(26)23-14-4-6-15(7-5-14)25-10-1-2-18(25)28/h3-8,12H,1-2,9-11H2,(H,23,26)
InChIKeyUDJPNEPXBNUNIJ-UHFFFAOYSA-N
XLogP3.02
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide (CID 17443925) is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide is O=C(CCn1cc(C(F)(F)F)ccc1=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is UDJPNEPXBNUNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)13-3-8-17(27)24(12-13)11-9-16(26)23-14-4-6-15(7-5-14)25-10-1-2-18(25)28/h3-8,12H,1-2,9-11H2,(H,23,26).
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 393.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 17443925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).