2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide

C16H16FN3O — CID 113023879

IUPAC2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2cccc(F)c2)nc1
InChIInChI=1S/C16H16FN3O/c1-2-8-18-14-6-7-15(19-11-14)20-16(21)10-12-4-3-5-13(17)9-12/h2-7,9,11,18H,1,8,10H2,(H,19,20,21)
InChIKeyOJBJOBBUSSRXME-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide

2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide (PubChem CID 113023879) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
PubChem CID113023879
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2cccc(F)c2)nc1
InChIInChI=1S/C16H16FN3O/c1-2-8-18-14-6-7-15(19-11-14)20-16(21)10-12-4-3-5-13(17)9-12/h2-7,9,11,18H,1,8,10H2,(H,19,20,21)
InChIKeyOJBJOBBUSSRXME-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'}

Analyze 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023878
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027442
2-amino-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 39178299
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113010094
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032051
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
2-(3-fluorophenyl)-N-[5-(N-methylanilino)-2-pyridinyl]acetamide
CID 113031689

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide (CID 113023879) is 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide is C=CCNc1ccc(NC(=O)Cc2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
The InChIKey is OJBJOBBUSSRXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-8-18-14-6-7-15(19-11-14)20-16(21)10-12-4-3-5-13(17)9-12/h2-7,9,11,18H,1,8,10H2,(H,19,20,21).
What are the key properties of 2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide?
2-(3-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-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113023879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).