(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide

C20H15Cl2N3O2 — CID 8610939

IUPAC(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1
InChIInChI=1S/C20H15Cl2N3O2/c1-11-16(20(26)25-12-6-3-2-4-7-12)17(14(10-23)19(24)27-11)13-8-5-9-15(21)18(13)22/h2-9,17H,24H2,1H3,(H,25,26)/t17-/m0/s1
InChIKeyGSVCOCDDZDIJRT-KRWDZBQOSA-N
MW400.27 g/mol
LogP4.71
Rot. Bonds3

About (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide

(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide (PubChem CID 8610939) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide
PubChem CID8610939
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1
InChIInChI=1S/C20H15Cl2N3O2/c1-11-16(20(26)25-12-6-3-2-4-7-12)17(14(10-23)19(24)27-11)13-8-5-9-15(21)18(13)22/h2-9,17H,24H2,1H3,(H,25,26)/t17-/m0/s1
InChIKeyGSVCOCDDZDIJRT-KRWDZBQOSA-N
XLogP4.71
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 3346478
methyl 6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-ethyl-4H-pyran-3-carboxylate
CID 4203159
prop-2-ynyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 166175181
6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide
CID 3577538
(4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 27234482
tert-butyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 155801856
4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 23995233
methyl (4R)-6-amino-4-[2-(2-chlorobenzoyl)oxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 92848298
6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 23908247
ethyl (4R)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 985604
methyl 5-amino-6-cyano-7-(2,3-dichlorophenyl)-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
CID 4920300
methyl (4R)-6-amino-5-cyano-4-(2-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 682282

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The IUPAC name of (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide (CID 8610939) is (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide.
What is the SMILES notation for (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The canonical SMILES for (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1.
What is the InChIKey of (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
The InChIKey is GSVCOCDDZDIJRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c1-11-16(20(26)25-12-6-3-2-4-7-12)17(14(10-23)19(24)27-11)13-8-5-9-15(21)18(13)22/h2-9,17H,24H2,1H3,(H,25,26)/t17-/m0/s1.
What are the key properties of (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide?
(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide has a molecular weight of 400.27 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 8610939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).