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

C19H20FN3O3 — CID 71784582

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)N1CCCC1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H20FN3O3/c20-15-4-1-3-13(9-15)10-16(23-8-2-5-18(23)25)12-22-19(26)14-6-7-17(24)21-11-14/h1,3-4,6-7,9,11,16H,2,5,8,10,12H2,(H,21,24)(H,22,26)
InChIKeyCBVCTVFYJYRCTL-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.48
Rot. Bonds6

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

N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 71784582) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID71784582
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)N1CCCC1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H20FN3O3/c20-15-4-1-3-13(9-15)10-16(23-8-2-5-18(23)25)12-22-19(26)14-6-7-17(24)21-11-14/h1,3-4,6-7,9,11,16H,2,5,8,10,12H2,(H,21,24)(H,22,26)
InChIKeyCBVCTVFYJYRCTL-UHFFFAOYSA-N
XLogP1.48
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide (CID 71784582) is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC(Cc1cccc(F)c1)N1CCCC1=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CBVCTVFYJYRCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-4-1-3-13(9-15)10-16(23-8-2-5-18(23)25)12-22-19(26)14-6-7-17(24)21-11-14/h1,3-4,6-7,9,11,16H,2,5,8,10,12H2,(H,21,24)(H,22,26).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71784582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).