4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide

C15H14FN3O — CID 89284217

IUPAC4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide
SMILESNC(=O)CC=Cc1cc(-c2ccc(F)cc2N)ccn1
InChIInChI=1S/C15H14FN3O/c16-11-4-5-13(14(17)9-11)10-6-7-19-12(8-10)2-1-3-15(18)20/h1-2,4-9H,3,17H2,(H2,18,20)
InChIKeyUMNRIBVVZYHORQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.36
Rot. Bonds4

About 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide

4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide (PubChem CID 89284217) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide.

Molecular Properties

Compound Name4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide
PubChem CID89284217
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide
SMILESNC(=O)CC=Cc1cc(-c2ccc(F)cc2N)ccn1
InChIInChI=1S/C15H14FN3O/c16-11-4-5-13(14(17)9-11)10-6-7-19-12(8-10)2-1-3-15(18)20/h1-2,4-9H,3,17H2,(H2,18,20)
InChIKeyUMNRIBVVZYHORQ-UHFFFAOYSA-N
XLogP2.36
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide?
The IUPAC name of 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide (CID 89284217) is 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide.
What is the SMILES notation for 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide?
The canonical SMILES for 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide is NC(=O)CC=Cc1cc(-c2ccc(F)cc2N)ccn1.
What is the InChIKey of 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide?
The InChIKey is UMNRIBVVZYHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-11-4-5-13(14(17)9-11)10-6-7-19-12(8-10)2-1-3-15(18)20/h1-2,4-9H,3,17H2,(H2,18,20).
What are the key properties of 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide?
4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide has a molecular weight of 271.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide is sourced from PubChem (CID 89284217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).