[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate

C16H20N2O3 — CID 70354419

IUPAC[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)NC(C)=C(N)C1c1cccc(C)c1
InChIInChI=1S/C16H20N2O3/c1-9-6-5-7-12(8-9)13-14(17)10(2)18-11(3)15(13)21-16(19)20-4/h5-8,13,18H,17H2,1-4H3
InChIKeyRMRJJYCPGUKROJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.89
Rot. Bonds2

About [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate

[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate (PubChem CID 70354419) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
PubChem CID70354419
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)NC(C)=C(N)C1c1cccc(C)c1
InChIInChI=1S/C16H20N2O3/c1-9-6-5-7-12(8-9)13-14(17)10(2)18-11(3)15(13)21-16(19)20-4/h5-8,13,18H,17H2,1-4H3
InChIKeyRMRJJYCPGUKROJ-UHFFFAOYSA-N
XLogP2.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyloxy-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70410877
(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate
CID 70354795
[5-(4-aminopentoxycarbonyloxy)-4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70460064
dimethyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11645365
[2,6-dimethyl-5-(2-methylpropoxycarbonyloxy)-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70439974
methyl [2-methyl-4-(3-nitrophenyl)-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] carbonate
CID 70474808
[5-(2-cyanoethoxycarbonyloxy)-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
CID 70555762
[4-(2-cyanophenyl)-2,6-dimethyl-5-(2-methylsulfanylethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70616291
[4-(2,3-dichlorophenyl)-5-methoxycarbonyloxy-2,6-dimethyl-1,4-dihydropyridin-3-yl]oxycarbonyloxymethyl butanoate
CID 23215646
(2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate
CID 70573933
[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
CID 70572935
[3-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]boronic acid
CID 56839786

Frequently Asked Questions

What is the IUPAC name of [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
The IUPAC name of [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate (CID 70354419) is [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate.
What is the SMILES notation for [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
The canonical SMILES for [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate is COC(=O)OC1=C(C)NC(C)=C(N)C1c1cccc(C)c1.
What is the InChIKey of [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
The InChIKey is RMRJJYCPGUKROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9-6-5-7-12(8-9)13-14(17)10(2)18-11(3)15(13)21-16(19)20-4/h5-8,13,18H,17H2,1-4H3.
What are the key properties of [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate has a molecular weight of 288.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate is sourced from PubChem (CID 70354419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).