N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide

C16H24N2O — CID 171593679

IUPACN-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cccc(C2CCCCC2)n1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)17-11-14-9-6-10-15(18-14)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,17,19)
InChIKeyDZBVPYVZNYMFEG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.40
Rot. Bonds4

About N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide

N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide (PubChem CID 171593679) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
PubChem CID171593679
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cccc(C2CCCCC2)n1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)17-11-14-9-6-10-15(18-14)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,17,19)
InChIKeyDZBVPYVZNYMFEG-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide (CID 171593679) is N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cccc(C2CCCCC2)n1.
What is the InChIKey of N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide?
The InChIKey is DZBVPYVZNYMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)16(19)17-11-14-9-6-10-15(18-14)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,17,19).
What are the key properties of N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide?
N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 171593679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).