1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide

C10H16N2O2S — CID 141330986

IUPAC1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCOCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C10H16N2O2S/c1-14-7-3-6-12-5-2-4-8(9(11)13)10(12)15/h2,4-5,10,15H,3,6-7H2,1H3,(H2,11,13)
InChIKeyYECHOOAKJVTTNA-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.52
Rot. Bonds5

About 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide

1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330986) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330986
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCOCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C10H16N2O2S/c1-14-7-3-6-12-5-2-4-8(9(11)13)10(12)15/h2,4-5,10,15H,3,6-7H2,1H3,(H2,11,13)
InChIKeyYECHOOAKJVTTNA-UHFFFAOYSA-N
XLogP0.52
TPSA55.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
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
1-(3-ethoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330978
1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330979
1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330980
1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330981
1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983
1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330990
1-(3-Methoxypropyl)-2-sulfanylidenepyridine-3-carboxamide
CID 146452030

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330986) is 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide is COCCCN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is YECHOOAKJVTTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-14-7-3-6-12-5-2-4-8(9(11)13)10(12)15/h2,4-5,10,15H,3,6-7H2,1H3,(H2,11,13).
What are the key properties of 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).