6-butoxy-N-cycloheptylpyridine-3-carboxamide

C17H26N2O2 — CID 58368248

IUPAC6-butoxy-N-cycloheptylpyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-2-3-12-21-16-11-10-14(13-18-16)17(20)19-15-8-6-4-5-7-9-15/h10-11,13,15H,2-9,12H2,1H3,(H,19,20)
InChIKeyYEYSCAZRXBPMBQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.71
Rot. Bonds6

About 6-butoxy-N-cycloheptylpyridine-3-carboxamide

6-butoxy-N-cycloheptylpyridine-3-carboxamide (PubChem CID 58368248) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-butoxy-N-cycloheptylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-butoxy-N-cycloheptylpyridine-3-carboxamide
PubChem CID58368248
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-butoxy-N-cycloheptylpyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-2-3-12-21-16-11-10-14(13-18-16)17(20)19-15-8-6-4-5-7-9-15/h10-11,13,15H,2-9,12H2,1H3,(H,19,20)
InChIKeyYEYSCAZRXBPMBQ-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.71
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

N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141
6-butoxypyridine-3-carboxamide
CID 506622
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
N-cyclobutyl-6-[(3-methylphenyl)methoxy]pyridine-3-carboxamide
CID 58368099
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-cycloheptylpyridine-3-carboxamide?
The IUPAC name of 6-butoxy-N-cycloheptylpyridine-3-carboxamide (CID 58368248) is 6-butoxy-N-cycloheptylpyridine-3-carboxamide.
What is the SMILES notation for 6-butoxy-N-cycloheptylpyridine-3-carboxamide?
The canonical SMILES for 6-butoxy-N-cycloheptylpyridine-3-carboxamide is CCCCOc1ccc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of 6-butoxy-N-cycloheptylpyridine-3-carboxamide?
The InChIKey is YEYSCAZRXBPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-12-21-16-11-10-14(13-18-16)17(20)19-15-8-6-4-5-7-9-15/h10-11,13,15H,2-9,12H2,1H3,(H,19,20).
What are the key properties of 6-butoxy-N-cycloheptylpyridine-3-carboxamide?
6-butoxy-N-cycloheptylpyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-cycloheptylpyridine-3-carboxamide is sourced from PubChem (CID 58368248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).