dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate

C17H27NO4 — CID 101087885

IUPACdipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate
SMILESCC(C)CC1(C(=O)OC(C)C)C=CC(C(=O)OC(C)C)=CN1
InChIInChI=1S/C17H27NO4/c1-11(2)9-17(16(20)22-13(5)6)8-7-14(10-18-17)15(19)21-12(3)4/h7-8,10-13,18H,9H2,1-6H3
InChIKeyOZRCMUJXMAQDFY-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.72
Rot. Bonds6

About dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate

dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate (PubChem CID 101087885) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate
PubChem CID101087885
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Namedipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate
SMILESCC(C)CC1(C(=O)OC(C)C)C=CC(C(=O)OC(C)C)=CN1
InChIInChI=1S/C17H27NO4/c1-11(2)9-17(16(20)22-13(5)6)8-7-14(10-18-17)15(19)21-12(3)4/h7-8,10-13,18H,9H2,1-6H3
InChIKeyOZRCMUJXMAQDFY-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate?
The IUPAC name of dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate (CID 101087885) is dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate is CC(C)CC1(C(=O)OC(C)C)C=CC(C(=O)OC(C)C)=CN1.
What is the InChIKey of dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate?
The InChIKey is OZRCMUJXMAQDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-11(2)9-17(16(20)22-13(5)6)8-7-14(10-18-17)15(19)21-12(3)4/h7-8,10-13,18H,9H2,1-6H3.
What are the key properties of dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate?
dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate has a molecular weight of 309.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(2-methylpropyl)-1H-pyridine-2,5-dicarboxylate is sourced from PubChem (CID 101087885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).