N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide

C20H21N3O2 — CID 122243059

IUPACN-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)C2)cn1
InChIInChI=1S/C20H21N3O2/c1-15(24)22-19-9-7-16(13-21-19)8-10-20(25)23-12-11-18(14-23)17-5-3-2-4-6-17/h2-10,13,18H,11-12,14H2,1H3,(H,21,22,24)/b10-8+
InChIKeyFYJBWZGKTKRUOL-CSKARUKUSA-N
MW335.41 g/mol
LogP3.07
Rot. Bonds4

About N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide

N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide (PubChem CID 122243059) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide
PubChem CID122243059
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)C2)cn1
InChIInChI=1S/C20H21N3O2/c1-15(24)22-19-9-7-16(13-21-19)8-10-20(25)23-12-11-18(14-23)17-5-3-2-4-6-17/h2-10,13,18H,11-12,14H2,1H3,(H,21,22,24)/b10-8+
InChIKeyFYJBWZGKTKRUOL-CSKARUKUSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide (CID 122243059) is N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)C2)cn1.
What is the InChIKey of N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
The InChIKey is FYJBWZGKTKRUOL-CSKARUKUSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(24)22-19-9-7-16(13-21-19)8-10-20(25)23-12-11-18(14-23)17-5-3-2-4-6-17/h2-10,13,18H,11-12,14H2,1H3,(H,21,22,24)/b10-8+.
What are the key properties of N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 122243059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).