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

C20H26N2O4 — CID 10066968

IUPACdipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2cccnc2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C20H26N2O4/c1-11(2)25-19(23)16-13(5)22-14(6)17(20(24)26-12(3)4)18(16)15-8-7-9-21-10-15/h7-12,18,22H,1-6H3
InChIKeyHFBGXXFDYHXLQW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.22
Rot. Bonds5

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

dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10066968) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID10066968
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namedipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2cccnc2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C20H26N2O4/c1-11(2)25-19(23)16-13(5)22-14(6)17(20(24)26-12(3)4)18(16)15-8-7-9-21-10-15/h7-12,18,22H,1-6H3
InChIKeyHFBGXXFDYHXLQW-UHFFFAOYSA-N
XLogP3.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 10066968) is dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate is CC1=C(C(=O)OC(C)C)C(c2cccnc2)C(C(=O)OC(C)C)=C(C)N1.
What is the InChIKey of dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is HFBGXXFDYHXLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-11(2)25-19(23)16-13(5)22-14(6)17(20(24)26-12(3)4)18(16)15-8-7-9-21-10-15/h7-12,18,22H,1-6H3.
What are the key properties of dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate?
dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10066968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).