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

C11H18N2OS — CID 141330979

IUPAC1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C11H18N2OS/c1-2-3-4-7-13-8-5-6-9(10(12)14)11(13)15/h5-6,8,11,15H,2-4,7H2,1H3,(H2,12,14)
InChIKeyUMKFIQODLVMFFL-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.67
Rot. Bonds5

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

1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330979) has the molecular formula C11H18N2OS and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330979
Molecular FormulaC11H18N2OS
Molecular Weight226.35 g/mol
Exact Mass226.11
IUPAC Name1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C11H18N2OS/c1-2-3-4-7-13-8-5-6-9(10(12)14)11(13)15/h5-6,8,11,15H,2-4,7H2,1H3,(H2,12,14)
InChIKeyUMKFIQODLVMFFL-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
1,1-diethyl-2H-pyridin-1-ium-3-carboxamide
CID 87720066
1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330971
1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330973
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330975
N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330976
1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330977
1-(3-ethoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330978
1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330980
1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330982

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330979) is 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide is CCCCCN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is UMKFIQODLVMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-3-4-7-13-8-5-6-9(10(12)14)11(13)15/h5-6,8,11,15H,2-4,7H2,1H3,(H2,12,14).
What are the key properties of 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 226.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).