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

C12H22N2O — CID 12925117

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)heptanamide
SMILESCCCCCCC(=O)NN1CC=CCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-6-9-12(15)13-14-10-7-5-8-11-14/h5,7H,2-4,6,8-11H2,1H3,(H,13,15)
InChIKeyVEUSWTJEZITMGB-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.25
Rot. Bonds6

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

N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide (PubChem CID 12925117) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)heptanamide
PubChem CID12925117
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)heptanamide
SMILESCCCCCCC(=O)NN1CC=CCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-6-9-12(15)13-14-10-7-5-8-11-14/h5,7H,2-4,6,8-11H2,1H3,(H,13,15)
InChIKeyVEUSWTJEZITMGB-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)heptanamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide (CID 12925117) is N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide is CCCCCCC(=O)NN1CC=CCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide?
The InChIKey is VEUSWTJEZITMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-6-9-12(15)13-14-10-7-5-8-11-14/h5,7H,2-4,6,8-11H2,1H3,(H,13,15).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide?
N-(3,6-dihydro-2H-pyridin-1-yl)heptanamide has a molecular weight of 210.32 g/mol, XLogP of 2.25, 6 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)heptanamide is sourced from PubChem (CID 12925117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).