2-N-butyl-6-methylpyridine-2,3-dicarboxamide

C12H17N3O2 — CID 172855038

IUPAC2-N-butyl-6-methylpyridine-2,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C)ccc1C(N)=O
InChIInChI=1S/C12H17N3O2/c1-3-4-7-14-12(17)10-9(11(13)16)6-5-8(2)15-10/h5-6H,3-4,7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyYOTYMXYTRSSALL-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.02
Rot. Bonds5

About 2-N-butyl-6-methylpyridine-2,3-dicarboxamide

2-N-butyl-6-methylpyridine-2,3-dicarboxamide (PubChem CID 172855038) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-N-butyl-6-methylpyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-methylpyridine-2,3-dicarboxamide
PubChem CID172855038
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-N-butyl-6-methylpyridine-2,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C)ccc1C(N)=O
InChIInChI=1S/C12H17N3O2/c1-3-4-7-14-12(17)10-9(11(13)16)6-5-8(2)15-10/h5-6H,3-4,7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyYOTYMXYTRSSALL-UHFFFAOYSA-N
XLogP1.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-methylpyridine-2,3-dicarboxamide?
The IUPAC name of 2-N-butyl-6-methylpyridine-2,3-dicarboxamide (CID 172855038) is 2-N-butyl-6-methylpyridine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-methylpyridine-2,3-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-methylpyridine-2,3-dicarboxamide is CCCCNC(=O)c1nc(C)ccc1C(N)=O.
What is the InChIKey of 2-N-butyl-6-methylpyridine-2,3-dicarboxamide?
The InChIKey is YOTYMXYTRSSALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-4-7-14-12(17)10-9(11(13)16)6-5-8(2)15-10/h5-6H,3-4,7H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 2-N-butyl-6-methylpyridine-2,3-dicarboxamide?
2-N-butyl-6-methylpyridine-2,3-dicarboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-methylpyridine-2,3-dicarboxamide is sourced from PubChem (CID 172855038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).