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5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide

C11H15N3O4 — CID 150640847

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide
SMILESCC(CO)(CO)NC(=O)c1cncc(C(N)=O)c1
InChIInChI=1S/C11H15N3O4/c1-11(5-15,6-16)14-10(18)8-2-7(9(12)17)3-13-4-8/h2-4,15-16H,5-6H2,1H3,(H2,12,17)(H,14,18)
InChIKeyIZWFZZLFKFMKQR-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.35
Rot. Bonds5

About 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide

5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide (PubChem CID 150640847) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide
PubChem CID150640847
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide
SMILESCC(CO)(CO)NC(=O)c1cncc(C(N)=O)c1
InChIInChI=1S/C11H15N3O4/c1-11(5-15,6-16)14-10(18)8-2-7(9(12)17)3-13-4-8/h2-4,15-16H,5-6H2,1H3,(H2,12,17)(H,14,18)
InChIKeyIZWFZZLFKFMKQR-UHFFFAOYSA-N
XLogP-1.35
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide (CID 150640847) is 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide is CC(CO)(CO)NC(=O)c1cncc(C(N)=O)c1.
What is the InChIKey of 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide?
The InChIKey is IZWFZZLFKFMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(5-15,6-16)14-10(18)8-2-7(9(12)17)3-13-4-8/h2-4,15-16H,5-6H2,1H3,(H2,12,17)(H,14,18).
What are the key properties of 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide?
5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide has a molecular weight of 253.26 g/mol, XLogP of -1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 150640847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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