N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide

C15H11N3O2 — CID 135373789

IUPACN-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H11N3O2/c1-2-15(19)18-12-7-14(10-17-9-12)20-13-5-3-11(8-16)4-6-13/h2-7,9-10H,1H2,(H,18,19)
InChIKeyPIYVKIIFWXOQBR-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.87
Rot. Bonds4

About N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide

N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide (PubChem CID 135373789) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide
PubChem CID135373789
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC NameN-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H11N3O2/c1-2-15(19)18-12-7-14(10-17-9-12)20-13-5-3-11(8-16)4-6-13/h2-7,9-10H,1H2,(H,18,19)
InChIKeyPIYVKIIFWXOQBR-UHFFFAOYSA-N
XLogP2.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide
CID 135373705
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
N-[3-(4-cyanophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260618
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
N-(3-cyano-5-methylphenyl)prop-2-enamide
CID 131071648
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
CID 66818758
(5-cyano-3-pyridinyl)urea
CID 159088018
N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
CID 135302300
N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 48872559

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide (CID 135373789) is N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cncc(Oc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide?
The InChIKey is PIYVKIIFWXOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-15(19)18-12-7-14(10-17-9-12)20-13-5-3-11(8-16)4-6-13/h2-7,9-10H,1H2,(H,18,19).
What are the key properties of N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide?
N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide has a molecular weight of 265.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 135373789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).