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

C21H17Cl2N3O3 — CID 27234482

IUPAC(4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl
InChIInChI=1S/C21H17Cl2N3O3/c1-11-17(21(27)26-15-8-3-4-9-16(15)28-2)18(12(10-24)20(25)29-11)19-13(22)6-5-7-14(19)23/h3-9,18H,25H2,1-2H3,(H,26,27)/t18-/m0/s1
InChIKeyFNBVZZPFSPPTIM-SFHVURJKSA-N
MW430.29 g/mol
LogP4.72
Rot. Bonds4

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

(4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide (PubChem CID 27234482) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name(4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
PubChem CID27234482
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name(4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl
InChIInChI=1S/C21H17Cl2N3O3/c1-11-17(21(27)26-15-8-3-4-9-16(15)28-2)18(12(10-24)20(25)29-11)19-13(22)6-5-7-14(19)23/h3-9,18H,25H2,1-2H3,(H,26,27)/t18-/m0/s1
InChIKeyFNBVZZPFSPPTIM-SFHVURJKSA-N
XLogP4.72
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide with MolForge

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Related Compounds

(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 1132011
6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 23857742
ethyl (4R)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 985604
(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide
CID 8610939
6-amino-4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 3346478
methyl (4R)-6-amino-4-[2-(2-chlorobenzoyl)oxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 92848298
methyl (4S)-6-amino-4-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 995715
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
prop-2-ynyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 166175181
(4R)-6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
CID 51500462
(4R)-6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
CID 98349543
ethyl 6-amino-5-cyano-4-(2,6-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390358

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
The IUPAC name of (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide (CID 27234482) is (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide.
What is the SMILES notation for (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
The canonical SMILES for (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl.
What is the InChIKey of (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
The InChIKey is FNBVZZPFSPPTIM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-11-17(21(27)26-15-8-3-4-9-16(15)28-2)18(12(10-24)20(25)29-11)19-13(22)6-5-7-14(19)23/h3-9,18H,25H2,1-2H3,(H,26,27)/t18-/m0/s1.
What are the key properties of (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
(4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide has a molecular weight of 430.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 27234482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).