N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide

C16H13ClFN3O3 — CID 102563907

IUPACN-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H13ClFN3O3/c17-10-8-9(4-5-11(10)18)21-7-6-13(16(21)24)20-15(23)12-2-1-3-14(22)19-12/h1-5,8,13H,6-7H2,(H,19,22)(H,20,23)
InChIKeyQADBVPBTAVWCJU-UHFFFAOYSA-N
MW349.75 g/mol
LogP1.70
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide

N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 102563907) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID102563907
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H13ClFN3O3/c17-10-8-9(4-5-11(10)18)21-7-6-13(16(21)24)20-15(23)12-2-1-3-14(22)19-12/h1-5,8,13H,6-7H2,(H,19,22)(H,20,23)
InChIKeyQADBVPBTAVWCJU-UHFFFAOYSA-N
XLogP1.70
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 102563907) is N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NC1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is QADBVPBTAVWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c17-10-8-9(4-5-11(10)18)21-7-6-13(16(21)24)20-15(23)12-2-1-3-14(22)19-12/h1-5,8,13H,6-7H2,(H,19,22)(H,20,23).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 349.75 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 102563907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).