N-(pyridin-4-ylmethyl)cyclohexanecarboxamide

C13H18N2O — CID 823684

IUPACN-(pyridin-4-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1ccncc1)C1CCCCC1
InChIInChI=1S/C13H18N2O/c16-13(12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h6-9,12H,1-5,10H2,(H,15,16)
InChIKeyZMUAYIXHCNEDSI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.28
Rot. Bonds3

About N-(pyridin-4-ylmethyl)cyclohexanecarboxamide

N-(pyridin-4-ylmethyl)cyclohexanecarboxamide (PubChem CID 823684) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)cyclohexanecarboxamide
PubChem CID823684
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(pyridin-4-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1ccncc1)C1CCCCC1
InChIInChI=1S/C13H18N2O/c16-13(12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h6-9,12H,1-5,10H2,(H,15,16)
InChIKeyZMUAYIXHCNEDSI-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)cyclohexanecarboxamide (CID 823684) is N-(pyridin-4-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)cyclohexanecarboxamide is O=C(NCc1ccncc1)C1CCCCC1.
What is the InChIKey of N-(pyridin-4-ylmethyl)cyclohexanecarboxamide?
The InChIKey is ZMUAYIXHCNEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h6-9,12H,1-5,10H2,(H,15,16).
What are the key properties of N-(pyridin-4-ylmethyl)cyclohexanecarboxamide?
N-(pyridin-4-ylmethyl)cyclohexanecarboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 823684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).