4-butan-2-ylpyridine-2,3-dicarboxamide

C11H15N3O2 — CID 67796914

IUPAC4-butan-2-ylpyridine-2,3-dicarboxamide
SMILESCCC(C)c1ccnc(C(N)=O)c1C(N)=O
InChIInChI=1S/C11H15N3O2/c1-3-6(2)7-4-5-14-9(11(13)16)8(7)10(12)15/h4-6H,3H2,1-2H3,(H2,12,15)(H2,13,16)
InChIKeySXSOIUSEONKAPX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.79
Rot. Bonds4

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

4-butan-2-ylpyridine-2,3-dicarboxamide (PubChem CID 67796914) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-butan-2-ylpyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name4-butan-2-ylpyridine-2,3-dicarboxamide
PubChem CID67796914
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-butan-2-ylpyridine-2,3-dicarboxamide
SMILESCCC(C)c1ccnc(C(N)=O)c1C(N)=O
InChIInChI=1S/C11H15N3O2/c1-3-6(2)7-4-5-14-9(11(13)16)8(7)10(12)15/h4-6H,3H2,1-2H3,(H2,12,15)(H2,13,16)
InChIKeySXSOIUSEONKAPX-UHFFFAOYSA-N
XLogP0.79
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylpyridine-2,3-dicarboxamide?
The IUPAC name of 4-butan-2-ylpyridine-2,3-dicarboxamide (CID 67796914) is 4-butan-2-ylpyridine-2,3-dicarboxamide.
What is the SMILES notation for 4-butan-2-ylpyridine-2,3-dicarboxamide?
The canonical SMILES for 4-butan-2-ylpyridine-2,3-dicarboxamide is CCC(C)c1ccnc(C(N)=O)c1C(N)=O.
What is the InChIKey of 4-butan-2-ylpyridine-2,3-dicarboxamide?
The InChIKey is SXSOIUSEONKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-6(2)7-4-5-14-9(11(13)16)8(7)10(12)15/h4-6H,3H2,1-2H3,(H2,12,15)(H2,13,16).
What are the key properties of 4-butan-2-ylpyridine-2,3-dicarboxamide?
4-butan-2-ylpyridine-2,3-dicarboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylpyridine-2,3-dicarboxamide is sourced from PubChem (CID 67796914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).