5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid

C9H14N2O2 — CID 82407815

IUPAC5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(N)C(C)C(C(=O)O)=C(C)N1
InChIInChI=1S/C9H14N2O2/c1-4-7(9(12)13)5(2)11-6(3)8(4)10/h4,11H,10H2,1-3H3,(H,12,13)
InChIKeyPFBGEWNCEPFJGV-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.77
Rot. Bonds1

About 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid

5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 82407815) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid
PubChem CID82407815
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(N)C(C)C(C(=O)O)=C(C)N1
InChIInChI=1S/C9H14N2O2/c1-4-7(9(12)13)5(2)11-6(3)8(4)10/h4,11H,10H2,1-3H3,(H,12,13)
InChIKeyPFBGEWNCEPFJGV-UHFFFAOYSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dicyanoethoxycarbonyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 19010008
2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 19100057
4-hexyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 67652768
4-(2,6-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 139677595
2,6-dimethyl-4-(2-methylsulfinylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 21422156
4-(2-iodophenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 70339062
4-(2-butoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 173370763
5-ethoxycarbonyl-2,6-dimethyl-4-propyl-1,4-dihydropyridine-3-carboxylic acid
CID 23220426
4-(furan-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 19100062
2,6-dimethyl-4-[2-(2-phenylethynyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 23038910
4-heptan-3-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 22105851
4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 18614421

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid (CID 82407815) is 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid is CC1=C(N)C(C)C(C(=O)O)=C(C)N1.
What is the InChIKey of 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is PFBGEWNCEPFJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-7(9(12)13)5(2)11-6(3)8(4)10/h4,11H,10H2,1-3H3,(H,12,13).
What are the key properties of 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid?
5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 82407815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).