2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide

C31H55N3O2 — CID 4094249

IUPAC2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccc(C(=O)N(CCCCCC)CCCCCC)n1
InChIInChI=1S/C31H55N3O2/c1-5-9-13-17-24-33(25-18-14-10-6-2)30(35)28-22-21-23-29(32-28)31(36)34(26-19-15-11-7-3)27-20-16-12-8-4/h21-23H,5-20,24-27H2,1-4H3
InChIKeyMTGOIABWNMKPLO-UHFFFAOYSA-N
MW501.80 g/mol
LogP8.29
Rot. Bonds22

About 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide

2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide (PubChem CID 4094249) has the molecular formula C31H55N3O2 and a molecular weight of 501.80 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
PubChem CID4094249
Molecular FormulaC31H55N3O2
Molecular Weight501.80 g/mol
Exact Mass501.43
IUPAC Name2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccc(C(=O)N(CCCCCC)CCCCCC)n1
InChIInChI=1S/C31H55N3O2/c1-5-9-13-17-24-33(25-18-14-10-6-2)30(35)28-22-21-23-29(32-28)31(36)34(26-19-15-11-7-3)27-20-16-12-8-4/h21-23H,5-20,24-27H2,1-4H3
InChIKeyMTGOIABWNMKPLO-UHFFFAOYSA-N
XLogP8.29
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.80
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)pyridine-2,6-dicarboxamide
CID 67393235
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821
6-(1H-benzimidazol-2-yl)-N,N-dioctylpyridine-2-carboxamide
CID 102164752
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
CID 63390828
N,N-dihexyl-2H-triazole-4-carboxamide
CID 112733489
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
3-methyl-N,N-di(undecyl)benzamide
CID 533252
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide (CID 4094249) is 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide is CCCCCCN(CCCCCC)C(=O)c1cccc(C(=O)N(CCCCCC)CCCCCC)n1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide?
The InChIKey is MTGOIABWNMKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H55N3O2/c1-5-9-13-17-24-33(25-18-14-10-6-2)30(35)28-22-21-23-29(32-28)31(36)34(26-19-15-11-7-3)27-20-16-12-8-4/h21-23H,5-20,24-27H2,1-4H3.
What are the key properties of 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide?
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide has a molecular weight of 501.80 g/mol, XLogP of 8.29, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 4094249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).