dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate

C16H18N2O4 — CID 782061

IUPACdimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccnc1
InChIInChI=1S/C16H18N2O4/c1-9-12(15(19)21-3)14(11-6-5-7-17-8-11)13(10(2)18-9)16(20)22-4/h5-8,14,18H,1-4H3
InChIKeyHQPKQZOVCGHZFY-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.66
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 782061) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID782061
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namedimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccnc1
InChIInChI=1S/C16H18N2O4/c1-9-12(15(19)21-3)14(11-6-5-7-17-8-11)13(10(2)18-9)16(20)22-4/h5-8,14,18H,1-4H3
InChIKeyHQPKQZOVCGHZFY-UHFFFAOYSA-N
XLogP1.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 782061) is dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccnc1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is HQPKQZOVCGHZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-12(15(19)21-3)14(11-6-5-7-17-8-11)13(10(2)18-9)16(20)22-4/h5-8,14,18H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 782061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).