5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide

C18H27N3O2 — CID 109106897

IUPAC5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)21-17(23)14-10-13(11-19-12-14)16(22)20-15-8-6-4-5-7-9-15/h10-12,15H,4-9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCWVJHYVIUURETC-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.06
Rot. Bonds3

About 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide

5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide (PubChem CID 109106897) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
PubChem CID109106897
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)21-17(23)14-10-13(11-19-12-14)16(22)20-15-8-6-4-5-7-9-15/h10-12,15H,4-9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCWVJHYVIUURETC-UHFFFAOYSA-N
XLogP3.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-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

3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
5-N-cycloheptyl-3-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109107035
N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544
5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
CID 109102737
N-cyclohexyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102478
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
5-N-cyclohexyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109103063
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide (CID 109106897) is 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide is CC(C)(C)NC(=O)c1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
The InChIKey is CWVJHYVIUURETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)21-17(23)14-10-13(11-19-12-14)16(22)20-15-8-6-4-5-7-9-15/h10-12,15H,4-9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide?
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).