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

C13H14N2OS — CID 141330984

IUPAC1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(Cc2ccccc2)C1S
InChIInChI=1S/C13H14N2OS/c14-12(16)11-7-4-8-15(13(11)17)9-10-5-2-1-3-6-10/h1-8,13,17H,9H2,(H2,14,16)
InChIKeyVSNHGIQORATQSU-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.68
Rot. Bonds3

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

1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330984) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330984
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(Cc2ccccc2)C1S
InChIInChI=1S/C13H14N2OS/c14-12(16)11-7-4-8-15(13(11)17)9-10-5-2-1-3-6-10/h1-8,13,17H,9H2,(H2,14,16)
InChIKeyVSNHGIQORATQSU-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.68
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-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid
CID 22612230
1-benzyl-2H-pyridine-3-carboxylic acid
CID 18410440
2-[3-(4-fluorophenyl)propylsulfanyl]-1-(pyridin-3-ylmethyl)-2H-pyridine-3-carboxylic acid
CID 67134347
2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide
CID 11163405
1-benzyl-2H-pyridine-4-carboxamide
CID 13227960
1-benzyltetrazole-5-carboxamide
CID 122714819
3-carbamoyl-1-(2-methylpropyl)-2H-pyridine-2-sulfonic acid
CID 174698574
3,7-dibenzyl-2H-1,3-diazepine-1-carboxylic acid
CID 70087262
1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide
CID 23252399
5-benzyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 177172129
(3S)-1-benzyl-3,4,5,8-tetrahydro-2H-azocine-3-carboxamide
CID 28820595

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330984) is 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(Cc2ccccc2)C1S.
What is the InChIKey of 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is VSNHGIQORATQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-12(16)11-7-4-8-15(13(11)17)9-10-5-2-1-3-6-10/h1-8,13,17H,9H2,(H2,14,16).
What are the key properties of 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).