3-hexylpyridine-2,6-dicarboxamide

C13H19N3O2 — CID 70459845

IUPAC3-hexylpyridine-2,6-dicarboxamide
SMILESCCCCCCc1ccc(C(N)=O)nc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-3-4-5-6-9-7-8-10(12(14)17)16-11(9)13(15)18/h7-8H,2-6H2,1H3,(H2,14,17)(H2,15,18)
InChIKeySVVVREZPCKKKSY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.40
Rot. Bonds7

About 3-hexylpyridine-2,6-dicarboxamide

3-hexylpyridine-2,6-dicarboxamide (PubChem CID 70459845) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hexylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name3-hexylpyridine-2,6-dicarboxamide
PubChem CID70459845
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-hexylpyridine-2,6-dicarboxamide
SMILESCCCCCCc1ccc(C(N)=O)nc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-3-4-5-6-9-7-8-10(12(14)17)16-11(9)13(15)18/h7-8H,2-6H2,1H3,(H2,14,17)(H2,15,18)
InChIKeySVVVREZPCKKKSY-UHFFFAOYSA-N
XLogP1.40
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.40
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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Related Compounds

4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2-octylbenzamide
CID 11148995
2-pentylnaphthalene-1-carboxamide
CID 154106171
3-pentylquinoxaline-2-carboxamide
CID 141031163
zinc;1,2-di(tetradecyl)benzene;dicarbamothioate
CID 173210001
4-decyl-2-fluoro-3-methylbenzamide
CID 57359826
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
2-decylbenzene-1,4-dicarboxamide
CID 141297186
5-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 69099087
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
4-heptyl-2-octyl-3-(trifluoromethyl)benzamide
CID 57359737

Frequently Asked Questions

What is the IUPAC name of 3-hexylpyridine-2,6-dicarboxamide?
The IUPAC name of 3-hexylpyridine-2,6-dicarboxamide (CID 70459845) is 3-hexylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 3-hexylpyridine-2,6-dicarboxamide?
The canonical SMILES for 3-hexylpyridine-2,6-dicarboxamide is CCCCCCc1ccc(C(N)=O)nc1C(N)=O.
What is the InChIKey of 3-hexylpyridine-2,6-dicarboxamide?
The InChIKey is SVVVREZPCKKKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-4-5-6-9-7-8-10(12(14)17)16-11(9)13(15)18/h7-8H,2-6H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 3-hexylpyridine-2,6-dicarboxamide?
3-hexylpyridine-2,6-dicarboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 70459845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).