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

C13H22N2O — CID 12925139

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide
SMILESO=C(NN1CC=CCC1)C1CCCCCC1
InChIInChI=1S/C13H22N2O/c16-13(12-8-4-1-2-5-9-12)14-15-10-6-3-7-11-15/h3,6,12H,1-2,4-5,7-11H2,(H,14,16)
InChIKeyCKSJTZMDPFVWJC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.25
Rot. Bonds2

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

N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide (PubChem CID 12925139) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide
PubChem CID12925139
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide
SMILESO=C(NN1CC=CCC1)C1CCCCCC1
InChIInChI=1S/C13H22N2O/c16-13(12-8-4-1-2-5-9-12)14-15-10-6-3-7-11-15/h3,6,12H,1-2,4-5,7-11H2,(H,14,16)
InChIKeyCKSJTZMDPFVWJC-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.25
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)cycloheptanecarboxamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide (CID 12925139) is N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide is O=C(NN1CC=CCC1)C1CCCCCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide?
The InChIKey is CKSJTZMDPFVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(12-8-4-1-2-5-9-12)14-15-10-6-3-7-11-15/h3,6,12H,1-2,4-5,7-11H2,(H,14,16).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide?
N-(3,6-dihydro-2H-pyridin-1-yl)cycloheptanecarboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.25, 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)cycloheptanecarboxamide is sourced from PubChem (CID 12925139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).