4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide

C13H12N2O2 — CID 24822547

IUPAC4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide
SMILESN#CC1(C(N)=O)C=C(c2ccccc2)OCC1
InChIInChI=1S/C13H12N2O2/c14-9-13(12(15)16)6-7-17-11(8-13)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,15,16)
InChIKeyPAXCMGAVMONPBQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.44
Rot. Bonds2

About 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide

4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide (PubChem CID 24822547) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide.

Molecular Properties

Compound Name4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide
PubChem CID24822547
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide
SMILESN#CC1(C(N)=O)C=C(c2ccccc2)OCC1
InChIInChI=1S/C13H12N2O2/c14-9-13(12(15)16)6-7-17-11(8-13)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,15,16)
InChIKeyPAXCMGAVMONPBQ-UHFFFAOYSA-N
XLogP1.44
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide?
The IUPAC name of 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide (CID 24822547) is 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide.
What is the SMILES notation for 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide?
The canonical SMILES for 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide is N#CC1(C(N)=O)C=C(c2ccccc2)OCC1.
What is the InChIKey of 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide?
The InChIKey is PAXCMGAVMONPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-9-13(12(15)16)6-7-17-11(8-13)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,15,16).
What are the key properties of 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide?
4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-6-phenyl-2,3-dihydropyran-4-carboxamide is sourced from PubChem (CID 24822547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).