N-(4-phenyl-2-pyridinyl)prop-2-enamide

C14H12N2O — CID 169490996

IUPACN-(4-phenyl-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17)
InChIKeyUHDREKXLGZSDPE-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.87
Rot. Bonds3

About N-(4-phenyl-2-pyridinyl)prop-2-enamide

N-(4-phenyl-2-pyridinyl)prop-2-enamide (PubChem CID 169490996) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(4-phenyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-phenyl-2-pyridinyl)prop-2-enamide
PubChem CID169490996
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-(4-phenyl-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17)
InChIKeyUHDREKXLGZSDPE-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.87
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-(4-phenyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of N-(4-phenyl-2-pyridinyl)prop-2-enamide (CID 169490996) is N-(4-phenyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(4-phenyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(4-phenyl-2-pyridinyl)prop-2-enamide is C=CC(=O)Nc1cc(-c2ccccc2)ccn1.
What is the InChIKey of N-(4-phenyl-2-pyridinyl)prop-2-enamide?
The InChIKey is UHDREKXLGZSDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17).
What are the key properties of N-(4-phenyl-2-pyridinyl)prop-2-enamide?
N-(4-phenyl-2-pyridinyl)prop-2-enamide has a molecular weight of 224.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 169490996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).