ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

C18H21N3O2 — CID 23852491

IUPACethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC(N)=C(C#N)C1c1ccc(C)cc1C
InChIInChI=1S/C18H21N3O2/c1-5-23-18(22)15-12(4)21-17(20)14(9-19)16(15)13-7-6-10(2)8-11(13)3/h6-8,16,21H,5,20H2,1-4H3
InChIKeySRFUHTHDDHWTJR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.52
Rot. Bonds3

About ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 23852491) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
PubChem CID23852491
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Nameethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC(N)=C(C#N)C1c1ccc(C)cc1C
InChIInChI=1S/C18H21N3O2/c1-5-23-18(22)15-12(4)21-17(20)14(9-19)16(15)13-7-6-10(2)8-11(13)3/h6-8,16,21H,5,20H2,1-4H3
InChIKeySRFUHTHDDHWTJR-UHFFFAOYSA-N
XLogP2.52
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-amino-5-cyano-4-(4-methoxy-2-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390462
ethyl 6-amino-5-cyano-4-[4-(diethylamino)-2-methylphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391321
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
CID 1135124
5-O-ethyl 3-O-propyl 2-amino-4-(2-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70636448
ethyl (4S)-5-cyano-2-methyl-4-(2-methyl-4-oxochromen-8-yl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylate
CID 66992017
ethyl 5-cyano-4-(2,4-dichlorophenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 70946345
ethyl (4R)-4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
CID 1315279
ethyl 6-amino-5-cyano-2-methyl-4-(2-methyl-4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
CID 169390505
ethyl 4-(2-benzylsulfanylphenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 13242104
ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
CID 4228358
2-methoxyethyl (4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7733634
ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4293970

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CID 23852491) is ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(C)NC(N)=C(C#N)C1c1ccc(C)cc1C.
What is the InChIKey of ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is SRFUHTHDDHWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-5-23-18(22)15-12(4)21-17(20)14(9-19)16(15)13-7-6-10(2)8-11(13)3/h6-8,16,21H,5,20H2,1-4H3.
What are the key properties of ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 311.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 23852491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).