N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide

C10H12N2OS — CID 175395068

IUPACN-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide
SMILESC=CCSc1cccnc1C(=O)NC
InChIInChI=1S/C10H12N2OS/c1-3-7-14-8-5-4-6-12-9(8)10(13)11-2/h3-6H,1,7H2,2H3,(H,11,13)
InChIKeyVUYRIRACIVWFJI-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.72
Rot. Bonds4

About N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide

N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide (PubChem CID 175395068) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide
PubChem CID175395068
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide
SMILESC=CCSc1cccnc1C(=O)NC
InChIInChI=1S/C10H12N2OS/c1-3-7-14-8-5-4-6-12-9(8)10(13)11-2/h3-6H,1,7H2,2H3,(H,11,13)
InChIKeyVUYRIRACIVWFJI-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-N-methylpyridine-2-carboxamide
CID 89245626
3-(hydrazinecarbonyl)-N-methylpyridine-2-carboxamide
CID 140772564
N-methyl-3-(propan-2-ylamino)pyridine-2-carboxamide
CID 176808648
3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide
CID 106427426
1-(3-ethylsulfanyl-2-pyridinyl)propan-1-one
CID 129177668
N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
CID 15994001
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 62473395
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
3-hydroxy-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 115302635
3-hydroxypyridine-2-carbohydrazide
CID 45083058
3-bromo-2-prop-2-enylsulfanylpyridine
CID 97182206

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide?
The IUPAC name of N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide (CID 175395068) is N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide?
The canonical SMILES for N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide is C=CCSc1cccnc1C(=O)NC.
What is the InChIKey of N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide?
The InChIKey is VUYRIRACIVWFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-7-14-8-5-4-6-12-9(8)10(13)11-2/h3-6H,1,7H2,2H3,(H,11,13).
What are the key properties of N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide?
N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 175395068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).