2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide

C22H17N3O2 — CID 4878324

IUPAC2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESN#CC(=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C22H17N3O2/c23-15-19(22(26)25-21-12-6-7-13-24-21)14-18-10-4-5-11-20(18)27-16-17-8-2-1-3-9-17/h1-14H,16H2,(H,24,25,26)
InChIKeyYEUIIHNEPUKXLA-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.21
Rot. Bonds6

About 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide

2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 4878324) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID4878324
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESN#CC(=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C22H17N3O2/c23-15-19(22(26)25-21-12-6-7-13-24-21)14-18-10-4-5-11-20(18)27-16-17-8-2-1-3-9-17/h1-14H,16H2,(H,24,25,26)
InChIKeyYEUIIHNEPUKXLA-UHFFFAOYSA-N
XLogP4.21
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 3282838
(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714174
4-[[(E)-2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912238
2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
CID 154274407
2-cyano-3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenyl]-N-phenylprop-2-enamide
CID 3278161
(E)-2-cyano-N-(3-methoxypropyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 7912298
2-cyano-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 4662351
2-cyano-N-(2-fluoro-5-nitrophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 3134831
2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20991185
4-[[2-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
CID 4004936
(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24628108
(Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2,5-dimethylpyrrol-1-yl)prop-2-enamide
CID 126389334

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide (CID 4878324) is 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide is N#CC(=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccccn1.
What is the InChIKey of 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is YEUIIHNEPUKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-15-19(22(26)25-21-12-6-7-13-24-21)14-18-10-4-5-11-20(18)27-16-17-8-2-1-3-9-17/h1-14H,16H2,(H,24,25,26).
What are the key properties of 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 355.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 4878324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).