6-tert-butyl-N-cyclohexylpyridine-3-carboxamide

C16H24N2O — CID 20709646

IUPAC6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C16H24N2O/c1-16(2,3)14-10-9-12(11-17-14)15(19)18-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,18,19)
InChIKeyXMGZUYKRKNBRJX-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.44
Rot. Bonds2

About 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide

6-tert-butyl-N-cyclohexylpyridine-3-carboxamide (PubChem CID 20709646) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
PubChem CID20709646
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C16H24N2O/c1-16(2,3)14-10-9-12(11-17-14)15(19)18-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,18,19)
InChIKeyXMGZUYKRKNBRJX-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-cyclooctyl-4-methylbenzamide
CID 3995245
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide
CID 6736213
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide (CID 20709646) is 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)NC2CCCCC2)cn1.
What is the InChIKey of 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide?
The InChIKey is XMGZUYKRKNBRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)14-10-9-12(11-17-14)15(19)18-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide?
6-tert-butyl-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 20709646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).