1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide

C13H20N2OS — CID 141330971

IUPAC1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C2CCCCCC2)C1S
InChIInChI=1S/C13H20N2OS/c14-12(16)11-8-5-9-15(13(11)17)10-6-3-1-2-4-7-10/h5,8-10,13,17H,1-4,6-7H2,(H2,14,16)
InChIKeyFDOKQAHAQITQMR-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.21
Rot. Bonds2

About 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide

1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330971) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330971
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C2CCCCCC2)C1S
InChIInChI=1S/C13H20N2OS/c14-12(16)11-8-5-9-15(13(11)17)10-6-3-1-2-4-7-10/h5,8-10,13,17H,1-4,6-7H2,(H2,14,16)
InChIKeyFDOKQAHAQITQMR-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Cycloheptyl-2-sulfanylidenepyridine-3-carboxamide
CID 45086853
1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330973
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330977
1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330979
1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330982
1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330989
1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330992
1-Cyclohexyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452052
3-(Aminomethyl)-1-cycloheptylpyridin-2-one
CID 105476557

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330971) is 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(C2CCCCCC2)C1S.
What is the InChIKey of 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is FDOKQAHAQITQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c14-12(16)11-8-5-9-15(13(11)17)10-6-3-1-2-4-7-10/h5,8-10,13,17H,1-4,6-7H2,(H2,14,16).
What are the key properties of 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).