4-methyl-N-sulfanylpyridine-2-carboxamide

C7H8N2OS — CID 91479980

IUPAC4-methyl-N-sulfanylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NS)c1
InChIInChI=1S/C7H8N2OS/c1-5-2-3-8-6(4-5)7(10)9-11/h2-4,11H,1H3,(H,9,10)
InChIKeyZBXWASRARNDEGC-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.96
Rot. Bonds1

About 4-methyl-N-sulfanylpyridine-2-carboxamide

4-methyl-N-sulfanylpyridine-2-carboxamide (PubChem CID 91479980) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-methyl-N-sulfanylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-sulfanylpyridine-2-carboxamide
PubChem CID91479980
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name4-methyl-N-sulfanylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NS)c1
InChIInChI=1S/C7H8N2OS/c1-5-2-3-8-6(4-5)7(10)9-11/h2-4,11H,1H3,(H,9,10)
InChIKeyZBXWASRARNDEGC-UHFFFAOYSA-N
XLogP0.96
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.96
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

methyl 4-methylpyridine-2-carboxylate
CID 10920693
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
N-(1-amino-2-methylpropan-2-yl)-4-methylpyridine-2-carboxamide
CID 110833934
N,4-dimethylpyridine-2-carboxamide;1-methyl-4-propylbenzene
CID 144587299
2-bromo-1-(4-methyl-2-pyridinyl)propan-1-one
CID 71428246
(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one
CID 93494177
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-sulfanylpyridine-2-carboxamide?
The IUPAC name of 4-methyl-N-sulfanylpyridine-2-carboxamide (CID 91479980) is 4-methyl-N-sulfanylpyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-sulfanylpyridine-2-carboxamide?
The canonical SMILES for 4-methyl-N-sulfanylpyridine-2-carboxamide is Cc1ccnc(C(=O)NS)c1.
What is the InChIKey of 4-methyl-N-sulfanylpyridine-2-carboxamide?
The InChIKey is ZBXWASRARNDEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-2-3-8-6(4-5)7(10)9-11/h2-4,11H,1H3,(H,9,10).
What are the key properties of 4-methyl-N-sulfanylpyridine-2-carboxamide?
4-methyl-N-sulfanylpyridine-2-carboxamide has a molecular weight of 168.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-sulfanylpyridine-2-carboxamide is sourced from PubChem (CID 91479980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).