(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide

C14H12FN3O — CID 115344407

IUPAC(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C14H12FN3O/c15-11-5-6-13(17-9-11)18-14(19)7-4-10-2-1-3-12(16)8-10/h1-9H,16H2,(H,17,18,19)/b7-4+
InChIKeyYKMDEGMXUZRFCO-QPJJXVBHSA-N
MW257.27 g/mol
LogP2.45
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide (PubChem CID 115344407) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide
PubChem CID115344407
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C14H12FN3O/c15-11-5-6-13(17-9-11)18-14(19)7-4-10-2-1-3-12(16)8-10/h1-9H,16H2,(H,17,18,19)/b7-4+
InChIKeyYKMDEGMXUZRFCO-QPJJXVBHSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-aminophenyl)-N-(4-fluoro-2-iodophenyl)prop-2-enamide
CID 115344597
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
(E)-3-(3-aminophenyl)-N-(3-bromo-2-pyridinyl)prop-2-enamide
CID 115344427
2-(3-aminophenoxy)-N-(5-fluoro-2-pyridinyl)acetamide
CID 65481050
N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide
CID 72687254
3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 4548014
(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 39371944
(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
CID 114839695
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide (CID 115344407) is (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide is Nc1cccc(/C=C/C(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
The InChIKey is YKMDEGMXUZRFCO-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-5-6-13(17-9-11)18-14(19)7-4-10-2-1-3-12(16)8-10/h1-9H,16H2,(H,17,18,19)/b7-4+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide has a molecular weight of 257.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 115344407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).