2-N,6-N-didecylpyridine-2,6-dicarboxamide

C27H47N3O2 — CID 4564479

IUPAC2-N,6-N-didecylpyridine-2,6-dicarboxamide
SMILESCCCCCCCCCCNC(=O)c1cccc(C(=O)NCCCCCCCCCC)n1
InChIInChI=1S/C27H47N3O2/c1-3-5-7-9-11-13-15-17-22-28-26(31)24-20-19-21-25(30-24)27(32)29-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyLPVJHIGFAVHZKI-UHFFFAOYSA-N
MW445.69 g/mol
LogP6.82
Rot. Bonds20

About 2-N,6-N-didecylpyridine-2,6-dicarboxamide

2-N,6-N-didecylpyridine-2,6-dicarboxamide (PubChem CID 4564479) has the molecular formula C27H47N3O2 and a molecular weight of 445.69 g/mol. Its IUPAC name is 2-N,6-N-didecylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-didecylpyridine-2,6-dicarboxamide
PubChem CID4564479
Molecular FormulaC27H47N3O2
Molecular Weight445.69 g/mol
Exact Mass445.37
IUPAC Name2-N,6-N-didecylpyridine-2,6-dicarboxamide
SMILESCCCCCCCCCCNC(=O)c1cccc(C(=O)NCCCCCCCCCC)n1
InChIInChI=1S/C27H47N3O2/c1-3-5-7-9-11-13-15-17-22-28-26(31)24-20-19-21-25(30-24)27(32)29-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyLPVJHIGFAVHZKI-UHFFFAOYSA-N
XLogP6.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 56.82
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

2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
N-hexyl-6-(2-phenylethenyl)pyridine-2-carboxamide
CID 54031463
2-N,6-N-bis[3-(2-octyldodecoxy)propyl]pyridine-2,6-dicarboxamide
CID 46200144
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098678
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
N-pentylpyridazine-3-carboxamide;hydrochloride
CID 143205726

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-didecylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-didecylpyridine-2,6-dicarboxamide (CID 4564479) is 2-N,6-N-didecylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-didecylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-didecylpyridine-2,6-dicarboxamide is CCCCCCCCCCNC(=O)c1cccc(C(=O)NCCCCCCCCCC)n1.
What is the InChIKey of 2-N,6-N-didecylpyridine-2,6-dicarboxamide?
The InChIKey is LPVJHIGFAVHZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N3O2/c1-3-5-7-9-11-13-15-17-22-28-26(31)24-20-19-21-25(30-24)27(32)29-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-N,6-N-didecylpyridine-2,6-dicarboxamide?
2-N,6-N-didecylpyridine-2,6-dicarboxamide has a molecular weight of 445.69 g/mol, XLogP of 6.82, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-didecylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 4564479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).