4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide

C16H24N2O — CID 1246184

IUPAC4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h4-5,10-13H,6-9H2,1-3H3,(H,18,19)
InChIKeyQVYKBDRYQQEXDD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.87
Rot. Bonds2

About 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide

4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 1246184) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID1246184
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h4-5,10-13H,6-9H2,1-3H3,(H,18,19)
InChIKeyQVYKBDRYQQEXDD-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide (CID 1246184) is 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2cccnc2)CC1.
What is the InChIKey of 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is QVYKBDRYQQEXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h4-5,10-13H,6-9H2,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 1246184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).