2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

C18H29N3O2 — CID 109099433

IUPAC2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)N(CCC)CCC)n1
InChIInChI=1S/C18H29N3O2/c1-4-7-8-12-19-17(22)15-10-9-11-16(20-15)18(23)21(13-5-2)14-6-3/h9-11H,4-8,12-14H2,1-3H3,(H,19,22)
InChIKeyOOZUDJNKZFWZCQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.26
Rot. Bonds10

About 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (PubChem CID 109099433) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
PubChem CID109099433
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)N(CCC)CCC)n1
InChIInChI=1S/C18H29N3O2/c1-4-7-8-12-19-17(22)15-10-9-11-16(20-15)18(23)21(13-5-2)14-6-3/h9-11H,4-8,12-14H2,1-3H3,(H,19,22)
InChIKeyOOZUDJNKZFWZCQ-UHFFFAOYSA-N
XLogP3.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
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,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099249
6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098678
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109097438
2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide
CID 13417375
2-N-[4-(dimethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099834
2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099835
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379

Frequently Asked Questions

What is the IUPAC name of 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (CID 109099433) is 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is CCCCCNC(=O)c1cccc(C(=O)N(CCC)CCC)n1.
What is the InChIKey of 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The InChIKey is OOZUDJNKZFWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-7-8-12-19-17(22)15-10-9-11-16(20-15)18(23)21(13-5-2)14-6-3/h9-11H,4-8,12-14H2,1-3H3,(H,19,22).
What are the key properties of 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).