(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide

C20H15ClFN3O2 — CID 8610944

IUPAC(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O1
InChIInChI=1S/C20H15ClFN3O2/c1-11-16(20(26)25-12-6-3-2-4-7-12)17(13(10-23)19(24)27-11)18-14(21)8-5-9-15(18)22/h2-9,17H,24H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyACYCKPYOYCTRFX-QGZVFWFLSA-N
MW383.81 g/mol
LogP4.20
Rot. Bonds3

About (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide

(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide (PubChem CID 8610944) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide
PubChem CID8610944
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O1
InChIInChI=1S/C20H15ClFN3O2/c1-11-16(20(26)25-12-6-3-2-4-7-12)17(13(10-23)19(24)27-11)18-14(21)8-5-9-15(18)22/h2-9,17H,24H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyACYCKPYOYCTRFX-QGZVFWFLSA-N
XLogP4.20
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54727980
(2Z)-N-(2'-chloro-(1,1'-biphenyl)-4-yl)-2-cyano-3-hydroxybut-2-enamide
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Cyanohydroxybutenamide, 27
CID 91896063
4-(2-chlorophenyl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
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4-(2-chlorophenyl)-N-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4181005
4-(2-chlorophenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 4368751
4-(2-chlorophenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 4456549
4-(2-chlorophenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 5225956
2-(4-chlorophenyl)-N-(4-cyanophenyl)-3-methylbutanamide
CID 16261210
4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 22330859
4H-Pyran-3-carboxamide, 6-amino-5-cyano-4-cyclohexyl-2-methyl-N-phenyl-
CID 611479
4-(2-chlorophenyl)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The IUPAC name of (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide (CID 8610944) is (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide.
What is the SMILES notation for (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The canonical SMILES for (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O1.
What is the InChIKey of (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The InChIKey is ACYCKPYOYCTRFX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-11-16(20(26)25-12-6-3-2-4-7-12)17(13(10-23)19(24)27-11)18-14(21)8-5-9-15(18)22/h2-9,17H,24H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-N-phenyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 8610944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).