(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide

C20H19N3O2S — CID 1142232

IUPAC(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
SMILESCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1
InChIInChI=1S/C20H19N3O2S/c1-12-7-4-5-8-15(12)23-19(24)17-13(2)22-20(26-3)14(11-21)18(17)16-9-6-10-25-16/h4-10,18,22H,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyJNLNJFKSIDTZGY-GOSISDBHSA-N
MW365.46 g/mol
LogP4.29
Rot. Bonds4

About (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide

(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide (PubChem CID 1142232) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
PubChem CID1142232
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
SMILESCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1
InChIInChI=1S/C20H19N3O2S/c1-12-7-4-5-8-15(12)23-19(24)17-13(2)22-20(26-3)14(11-21)18(17)16-9-6-10-25-16/h4-10,18,22H,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyJNLNJFKSIDTZGY-GOSISDBHSA-N
XLogP4.29
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-6-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
CID 23741273
6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
CID 4610466
benzyl 2-[[(4R)-3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl]sulfanyl]acetate
CID 51447643
5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
CID 23876772
5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 2840964
(4R)-6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
CID 51451773
(4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
CID 51398632
6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-N-(2,6-dimethylphenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
CID 18590517
5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 3317516
(4R)-5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxamide
CID 98367866
5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 23804722
prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
CID 4051946

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide (CID 1142232) is (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide is CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1.
What is the InChIKey of (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide?
The InChIKey is JNLNJFKSIDTZGY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-7-4-5-8-15(12)23-19(24)17-13(2)22-20(26-3)14(11-21)18(17)16-9-6-10-25-16/h4-10,18,22H,1-3H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide?
(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 1142232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).