5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide

C16H16FN3O — CID 109223975

IUPAC5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C16H16FN3O/c1-2-7-19-16(21)13-8-14(11-18-9-13)20-10-12-5-3-4-6-15(12)17/h2-6,8-9,11,20H,1,7,10H2,(H,19,21)
InChIKeyADGQFIQHBUIMID-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.75
Rot. Bonds6

About 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide

5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109223975) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109223975
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C16H16FN3O/c1-2-7-19-16(21)13-8-14(11-18-9-13)20-10-12-5-3-4-6-15(12)17/h2-6,8-9,11,20H,1,7,10H2,(H,19,21)
InChIKeyADGQFIQHBUIMID-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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

4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
N-cyclopropyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109223581
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233439
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
methyl 3-[[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109233505

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 109223975) is 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(NCc2ccccc2F)c1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is ADGQFIQHBUIMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-7-19-16(21)13-8-14(11-18-9-13)20-10-12-5-3-4-6-15(12)17/h2-6,8-9,11,20H,1,7,10H2,(H,19,21).
What are the key properties of 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109223975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).