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

C10H16N2OS — CID 141330974

IUPAC1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C10H16N2OS/c1-2-3-6-12-7-4-5-8(9(11)13)10(12)14/h4-5,7,10,14H,2-3,6H2,1H3,(H2,11,13)
InChIKeyLUCDHOWJFWIVEY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.28
Rot. Bonds4

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

1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330974) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330974
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C10H16N2OS/c1-2-3-6-12-7-4-5-8(9(11)13)10(12)14/h4-5,7,10,14H,2-3,6H2,1H3,(H2,11,13)
InChIKeyLUCDHOWJFWIVEY-UHFFFAOYSA-N
XLogP1.28
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.28
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-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983
1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330984
1-butyl-2,3-dimethyl-2H-pyridine
CID 21495188
1-butyl-2-[3,3-difluoro-3-(4-fluorophenyl)propyl]sulfanyl-2H-pyridine-3-carboxylic acid
CID 67133582
3-carbamoyl-1-(2-methylpropyl)-2H-pyridine-2-sulfonic acid
CID 174698574
6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 175839294
3-butyl-1-methyl-2H-imidazol-1-ium-1,2-dicarboxamide
CID 175870516
1-ethyl-2-(propylamino)-2H-pyridine-3-carboxylic acid
CID 70637960
2-(1-pentyl-2H-pyridin-2-yl)acetic acid
CID 162720512
1-hexyl-3-methyl-2H-imidazol-2-ol
CID 175378388
1-hexyl-2-methyl-2H-pyridine
CID 141126590
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330974) is 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide is CCCCN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is LUCDHOWJFWIVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-3-6-12-7-4-5-8(9(11)13)10(12)14/h4-5,7,10,14H,2-3,6H2,1H3,(H2,11,13).
What are the key properties of 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).