N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

C19H18FN3O3 — CID 171781233

IUPACN-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)/C=C/c2ccc(F)cc2)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H18FN3O3/c20-15-5-1-13(2-6-15)3-8-18(25)23-10-9-16(12-23)22-19(26)14-4-7-17(24)21-11-14/h1-8,11,16H,9-10,12H2,(H,21,24)(H,22,26)/b8-3+
InChIKeyMWAWVMRWEVQOLV-FPYGCLRLSA-N
MW355.37 g/mol
LogP1.56
Rot. Bonds4

About N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 171781233) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID171781233
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)/C=C/c2ccc(F)cc2)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H18FN3O3/c20-15-5-1-13(2-6-15)3-8-18(25)23-10-9-16(12-23)22-19(26)14-4-7-17(24)21-11-14/h1-8,11,16H,9-10,12H2,(H,21,24)(H,22,26)/b8-3+
InChIKeyMWAWVMRWEVQOLV-FPYGCLRLSA-N
XLogP1.56
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 171781233) is N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCN(C(=O)/C=C/c2ccc(F)cc2)C1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MWAWVMRWEVQOLV-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-15-5-1-13(2-6-15)3-8-18(25)23-10-9-16(12-23)22-19(26)14-4-7-17(24)21-11-14/h1-8,11,16H,9-10,12H2,(H,21,24)(H,22,26)/b8-3+.
What are the key properties of N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171781233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).