2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide

C17H14FN3O2 — CID 155951016

IUPAC2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESO=C(Nc1cccnc1)C(=O)N1CC=C(c2ccccc2F)C1
InChIInChI=1S/C17H14FN3O2/c18-15-6-2-1-5-14(15)12-7-9-21(11-12)17(23)16(22)20-13-4-3-8-19-10-13/h1-8,10H,9,11H2,(H,20,22)
InChIKeyMJGMZAQDQAWSBP-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.09
Rot. Bonds2

About 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide

2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide (PubChem CID 155951016) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide
PubChem CID155951016
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESO=C(Nc1cccnc1)C(=O)N1CC=C(c2ccccc2F)C1
InChIInChI=1S/C17H14FN3O2/c18-15-6-2-1-5-14(15)12-7-9-21(11-12)17(23)16(22)20-13-4-3-8-19-10-13/h1-8,10H,9,11H2,(H,20,22)
InChIKeyMJGMZAQDQAWSBP-UHFFFAOYSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 91648575
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide
CID 138674290
8-(2-fluorophenyl)-N-pyridin-3-ylquinoline-2-carboxamide
CID 70853134
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide
CID 30850510
1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate
CID 138674272
ethyl 1-[2-oxo-2-(pyridin-3-ylamino)acetyl]piperidine-4-carboxylate
CID 44902348
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
2-[(3aS,9aS,9bR)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 129424050
5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide
CID 164595730

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide (CID 155951016) is 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide is O=C(Nc1cccnc1)C(=O)N1CC=C(c2ccccc2F)C1.
What is the InChIKey of 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The InChIKey is MJGMZAQDQAWSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-15-6-2-1-5-14(15)12-7-9-21(11-12)17(23)16(22)20-13-4-3-8-19-10-13/h1-8,10H,9,11H2,(H,20,22).
What are the key properties of 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide has a molecular weight of 311.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide is sourced from PubChem (CID 155951016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).