(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide

C22H21N3O2S — CID 7220711

IUPAC(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1C(C)=NC(SC)=C(C#N)[C@H]1c1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-14-19(21(26)25-17-11-7-8-12-18(17)27-2)20(15-9-5-4-6-10-15)16(13-23)22(24-14)28-3/h4-12,19-20H,1-3H3,(H,25,26)/t19?,20-/m1/s1
InChIKeyKVLKEHXTMGQWRD-GFOWMXPYSA-N
MW391.50 g/mol
LogP4.61
Rot. Bonds5

About (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide

(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide (PubChem CID 7220711) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide
PubChem CID7220711
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1C(C)=NC(SC)=C(C#N)[C@H]1c1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-14-19(21(26)25-17-11-7-8-12-18(17)27-2)20(15-9-5-4-6-10-15)16(13-23)22(24-14)28-3/h4-12,19-20H,1-3H3,(H,25,26)/t19?,20-/m1/s1
InChIKeyKVLKEHXTMGQWRD-GFOWMXPYSA-N
XLogP4.61
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-6-sulfanyl-3,4-dihydropyridine-3-carboxamide
CID 7431675
(4R)-5-(iminomethylidene)-N-(2-methoxyphenyl)-2-methyl-4-phenyl-6-sulfanylidene-3,4-dihydropyridine-3-carboxamide
CID 135848987
(4R)-4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-3,4-dihydropyridine-3-carboxamide
CID 6959752
(4S)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 1360587
(4S)-3-acetyl-4-(4-chlorophenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile
CID 6935134
(4S)-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxamide
CID 7853618
(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
CID 1134373
(4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7447331
(4S)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7894791
(4R)-6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
CID 51500462
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 6990215
2-[[(4S)-5-cyano-2-methyl-3-(phenylcarbamoyl)-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]sulfanyl]acetic acid
CID 7109388

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide?
The IUPAC name of (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide (CID 7220711) is (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide?
The canonical SMILES for (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide is COc1ccccc1NC(=O)C1C(C)=NC(SC)=C(C#N)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide?
The InChIKey is KVLKEHXTMGQWRD-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14-19(21(26)25-17-11-7-8-12-18(17)27-2)20(15-9-5-4-6-10-15)16(13-23)22(24-14)28-3/h4-12,19-20H,1-3H3,(H,25,26)/t19?,20-/m1/s1.
What are the key properties of (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide?
(4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 7220711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).