(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide

C15H13FN2O — CID 84554139

IUPAC(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccnc1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C15H13FN2O/c1-11-4-3-9-17-15(11)18-14(19)8-7-12-5-2-6-13(16)10-12/h2-10H,1H3,(H,17,18,19)/b8-7+
InChIKeyMAEQXKNQJZKWFI-BQYQJAHWSA-N
MW256.28 g/mol
LogP3.18
Rot. Bonds3

About (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 84554139) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
PubChem CID84554139
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccnc1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C15H13FN2O/c1-11-4-3-9-17-15(11)18-14(19)8-7-12-5-2-6-13(16)10-12/h2-10H,1H3,(H,17,18,19)/b8-7+
InChIKeyMAEQXKNQJZKWFI-BQYQJAHWSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
CID 84562015
(E)-3-(4-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84553243
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 3700792
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
N-[3-(3-cyanopropoxy)-2-pyridinyl]-3-(3-fluorophenyl)prop-2-enamide
CID 72684835
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 154762797
2-[3-(3,4-dimethylphenyl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 91422896
5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356655
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8779107
(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621065
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide (CID 84554139) is (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide is Cc1cccnc1NC(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is MAEQXKNQJZKWFI-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-11-4-3-9-17-15(11)18-14(19)8-7-12-5-2-6-13(16)10-12/h2-10H,1H3,(H,17,18,19)/b8-7+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 256.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 84554139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).