2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

C20H31N3O2 — CID 109099249

IUPAC2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C20H31N3O2/c1-3-14-23(15-4-2)20(25)18-13-9-12-17(22-18)19(24)21-16-10-7-5-6-8-11-16/h9,12-13,16H,3-8,10-11,14-15H2,1-2H3,(H,21,24)
InChIKeyCKYNASFQBMHAPV-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.80
Rot. Bonds7

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

2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (PubChem CID 109099249) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
PubChem CID109099249
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C20H31N3O2/c1-3-14-23(15-4-2)20(25)18-13-9-12-17(22-18)19(24)21-16-10-7-5-6-8-11-16/h9,12-13,16H,3-8,10-11,14-15H2,1-2H3,(H,21,24)
InChIKeyCKYNASFQBMHAPV-UHFFFAOYSA-N
XLogP3.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
6-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,6-dicarboxamide
CID 109095028
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
1-N-cyclopentyl-3-N,3-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068204
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (CID 109099249) is 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The InChIKey is CKYNASFQBMHAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-14-23(15-4-2)20(25)18-13-9-12-17(22-18)19(24)21-16-10-7-5-6-8-11-16/h9,12-13,16H,3-8,10-11,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).