2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide

C16H16FN3O — CID 113023878

IUPAC2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2ccccc2F)nc1
InChIInChI=1S/C16H16FN3O/c1-2-9-18-13-7-8-15(19-11-13)20-16(21)10-12-5-3-4-6-14(12)17/h2-8,11,18H,1,9-10H2,(H,19,20,21)
InChIKeyPLKHJUUOVZSZEX-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.00
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide

2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide (PubChem CID 113023878) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
PubChem CID113023878
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2ccccc2F)nc1
InChIInChI=1S/C16H16FN3O/c1-2-9-18-13-7-8-15(19-11-13)20-16(21)10-12-5-3-4-6-14(12)17/h2-8,11,18H,1,9-10H2,(H,19,20,21)
InChIKeyPLKHJUUOVZSZEX-UHFFFAOYSA-N
XLogP3.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023879
2-amino-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 39178299
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
N-[5-(3-chloroanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033314
2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide
CID 113015117
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide (CID 113023878) is 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide is C=CCNc1ccc(NC(=O)Cc2ccccc2F)nc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
The InChIKey is PLKHJUUOVZSZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-9-18-13-7-8-15(19-11-13)20-16(21)10-12-5-3-4-6-14(12)17/h2-8,11,18H,1,9-10H2,(H,19,20,21).
What are the key properties of 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide has a molecular weight of 285.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113023878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).