(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide

C15H13FN2O — CID 75408108

IUPAC(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
SMILESCc1ncccc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-11-14(3-2-10-17-11)18-15(19)9-6-12-4-7-13(16)8-5-12/h2-10H,1H3,(H,18,19)/b9-6+
InChIKeyMISLORDJHJXCNS-RMKNXTFCSA-N
MW256.28 g/mol
LogP3.18
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide (PubChem CID 75408108) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
PubChem CID75408108
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
SMILESCc1ncccc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-11-14(3-2-10-17-11)18-15(19)9-6-12-4-7-13(16)8-5-12/h2-10H,1H3,(H,18,19)/b9-6+
InChIKeyMISLORDJHJXCNS-RMKNXTFCSA-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-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-[2-(4-fluoroanilino)-3-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 155816048
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 78905878
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685075
(E)-3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 56826676
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide (CID 75408108) is (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide is Cc1ncccc1NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide?
The InChIKey is MISLORDJHJXCNS-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-11-14(3-2-10-17-11)18-15(19)9-6-12-4-7-13(16)8-5-12/h2-10H,1H3,(H,18,19)/b9-6+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-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-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 75408108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).