propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

C20H24N2O4 — CID 31140096

IUPACpropan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCOc1ccc([C@H]2C(C#N)=C(C)NC(C)=C2C(=O)OC(C)C)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-11(2)26-20(23)18-13(4)22-12(3)16(10-21)19(18)15-8-7-14(24-5)9-17(15)25-6/h7-9,11,19,22H,1-6H3/t19-/m0/s1
InChIKeyMVVZIYSLTXQQMU-IBGZPJMESA-N
MW356.42 g/mol
LogP3.41
Rot. Bonds5

About propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 31140096) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
PubChem CID31140096
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namepropan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCOc1ccc([C@H]2C(C#N)=C(C)NC(C)=C2C(=O)OC(C)C)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-11(2)26-20(23)18-13(4)22-12(3)16(10-21)19(18)15-8-7-14(24-5)9-17(15)25-6/h7-9,11,19,22H,1-6H3/t19-/m0/s1
InChIKeyMVVZIYSLTXQQMU-IBGZPJMESA-N
XLogP3.41
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (CID 31140096) is propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is COc1ccc([C@H]2C(C#N)=C(C)NC(C)=C2C(=O)OC(C)C)c(OC)c1.
What is the InChIKey of propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is MVVZIYSLTXQQMU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O4/c1-11(2)26-20(23)18-13(4)22-12(3)16(10-21)19(18)15-8-7-14(24-5)9-17(15)25-6/h7-9,11,19,22H,1-6H3/t19-/m0/s1.
What are the key properties of propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 31140096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).