6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide

C20H23N3O2 — CID 611479

IUPAC6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(C2CCCCC2)C(C#N)=C(N)O1
InChIInChI=1S/C20H23N3O2/c1-13-17(20(24)23-15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16(12-21)19(22)25-13/h3,6-7,10-11,14,18H,2,4-5,8-9,22H2,1H3,(H,23,24)
InChIKeyOQCCZUHDDRPUBU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.82
Rot. Bonds3

About 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide

6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide (PubChem CID 611479) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide
PubChem CID611479
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(C2CCCCC2)C(C#N)=C(N)O1
InChIInChI=1S/C20H23N3O2/c1-13-17(20(24)23-15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16(12-21)19(22)25-13/h3,6-7,10-11,14,18H,2,4-5,8-9,22H2,1H3,(H,23,24)
InChIKeyOQCCZUHDDRPUBU-UHFFFAOYSA-N
XLogP3.82
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The IUPAC name of 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide (CID 611479) is 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide.
What is the SMILES notation for 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The canonical SMILES for 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(C2CCCCC2)C(C#N)=C(N)O1.
What is the InChIKey of 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The InChIKey is OQCCZUHDDRPUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-17(20(24)23-15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16(12-21)19(22)25-13/h3,6-7,10-11,14,18H,2,4-5,8-9,22H2,1H3,(H,23,24).
What are the key properties of 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 611479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).