N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide

C12H20N2O — CID 12925116

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide
SMILESO=C(NN1CC=CCC1)C1CCCCC1
InChIInChI=1S/C12H20N2O/c15-12(11-7-3-1-4-8-11)13-14-9-5-2-6-10-14/h2,5,11H,1,3-4,6-10H2,(H,13,15)
InChIKeyPWROXLZYICLCKP-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.86
Rot. Bonds2

About N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide

N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide (PubChem CID 12925116) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide
PubChem CID12925116
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide
SMILESO=C(NN1CC=CCC1)C1CCCCC1
InChIInChI=1S/C12H20N2O/c15-12(11-7-3-1-4-8-11)13-14-9-5-2-6-10-14/h2,5,11H,1,3-4,6-10H2,(H,13,15)
InChIKeyPWROXLZYICLCKP-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide (CID 12925116) is N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide is O=C(NN1CC=CCC1)C1CCCCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide?
The InChIKey is PWROXLZYICLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(11-7-3-1-4-8-11)13-14-9-5-2-6-10-14/h2,5,11H,1,3-4,6-10H2,(H,13,15).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide?
N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide has a molecular weight of 208.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyridin-1-yl)cyclohexanecarboxamide is sourced from PubChem (CID 12925116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).