N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide

C14H14N2O — CID 171920497

IUPACN-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1C=CC=CC1c1ccccc1
InChIInChI=1S/C14H14N2O/c1-2-14(17)15-16-11-7-6-10-13(16)12-8-4-3-5-9-12/h2-11,13H,1H2,(H,15,17)
InChIKeyPTSWRLIXMAWAJJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.33
Rot. Bonds3

About N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide

N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide (PubChem CID 171920497) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide
PubChem CID171920497
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1C=CC=CC1c1ccccc1
InChIInChI=1S/C14H14N2O/c1-2-14(17)15-16-11-7-6-10-13(16)12-8-4-3-5-9-12/h2-11,13H,1H2,(H,15,17)
InChIKeyPTSWRLIXMAWAJJ-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide?
The IUPAC name of N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide (CID 171920497) is N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide?
The canonical SMILES for N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide is C=CC(=O)NN1C=CC=CC1c1ccccc1.
What is the InChIKey of N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide?
The InChIKey is PTSWRLIXMAWAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-14(17)15-16-11-7-6-10-13(16)12-8-4-3-5-9-12/h2-11,13H,1H2,(H,15,17).
What are the key properties of N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide?
N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide has a molecular weight of 226.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2H-pyridin-1-yl)prop-2-enamide is sourced from PubChem (CID 171920497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).