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

C19H20N4O2 — CID 122243064

IUPACN-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccn3)C2)cn1
InChIInChI=1S/C19H20N4O2/c1-14(24)22-18-7-5-15(12-21-18)6-8-19(25)23-11-9-16(13-23)17-4-2-3-10-20-17/h2-8,10,12,16H,9,11,13H2,1H3,(H,21,22,24)/b8-6+
InChIKeyFTVYETAUGRLCJB-SOFGYWHQSA-N
MW336.40 g/mol
LogP2.46
Rot. Bonds4

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

N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide (PubChem CID 122243064) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide
PubChem CID122243064
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccn3)C2)cn1
InChIInChI=1S/C19H20N4O2/c1-14(24)22-18-7-5-15(12-21-18)6-8-19(25)23-11-9-16(13-23)17-4-2-3-10-20-17/h2-8,10,12,16H,9,11,13H2,1H3,(H,21,22,24)/b8-6+
InChIKeyFTVYETAUGRLCJB-SOFGYWHQSA-N
XLogP2.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide (CID 122243064) is N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccn3)C2)cn1.
What is the InChIKey of N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
The InChIKey is FTVYETAUGRLCJB-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(24)22-18-7-5-15(12-21-18)6-8-19(25)23-11-9-16(13-23)17-4-2-3-10-20-17/h2-8,10,12,16H,9,11,13H2,1H3,(H,21,22,24)/b8-6+.
What are the key properties of N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide?
N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 122243064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).