4-propan-2-ylpyridine-2,3-dicarboxamide

C10H13N3O2 — CID 67794907

IUPAC4-propan-2-ylpyridine-2,3-dicarboxamide
SMILESCC(C)c1ccnc(C(N)=O)c1C(N)=O
InChIInChI=1S/C10H13N3O2/c1-5(2)6-3-4-13-8(10(12)15)7(6)9(11)14/h3-5H,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyVHZFJGYGKBXVAT-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.40
Rot. Bonds3

About 4-propan-2-ylpyridine-2,3-dicarboxamide

4-propan-2-ylpyridine-2,3-dicarboxamide (PubChem CID 67794907) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-propan-2-ylpyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name4-propan-2-ylpyridine-2,3-dicarboxamide
PubChem CID67794907
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-propan-2-ylpyridine-2,3-dicarboxamide
SMILESCC(C)c1ccnc(C(N)=O)c1C(N)=O
InChIInChI=1S/C10H13N3O2/c1-5(2)6-3-4-13-8(10(12)15)7(6)9(11)14/h3-5H,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyVHZFJGYGKBXVAT-UHFFFAOYSA-N
XLogP0.40
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyridine-2,3-dicarboxamide?
The IUPAC name of 4-propan-2-ylpyridine-2,3-dicarboxamide (CID 67794907) is 4-propan-2-ylpyridine-2,3-dicarboxamide.
What is the SMILES notation for 4-propan-2-ylpyridine-2,3-dicarboxamide?
The canonical SMILES for 4-propan-2-ylpyridine-2,3-dicarboxamide is CC(C)c1ccnc(C(N)=O)c1C(N)=O.
What is the InChIKey of 4-propan-2-ylpyridine-2,3-dicarboxamide?
The InChIKey is VHZFJGYGKBXVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-5(2)6-3-4-13-8(10(12)15)7(6)9(11)14/h3-5H,1-2H3,(H2,11,14)(H2,12,15).
What are the key properties of 4-propan-2-ylpyridine-2,3-dicarboxamide?
4-propan-2-ylpyridine-2,3-dicarboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyridine-2,3-dicarboxamide is sourced from PubChem (CID 67794907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).