N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide

C11H14N2OS — CID 114618909

IUPACN-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESC=C(C)CNC(=O)c1cccnc1SC
InChIInChI=1S/C11H14N2OS/c1-8(2)7-13-10(14)9-5-4-6-12-11(9)15-3/h4-6H,1,7H2,2-3H3,(H,13,14)
InChIKeyZPYNSOBZYGQSGL-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.11
Rot. Bonds4

About N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide

N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 114618909) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID114618909
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESC=C(C)CNC(=O)c1cccnc1SC
InChIInChI=1S/C11H14N2OS/c1-8(2)7-13-10(14)9-5-4-6-12-11(9)15-3/h4-6H,1,7H2,2-3H3,(H,13,14)
InChIKeyZPYNSOBZYGQSGL-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.11
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

N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide
CID 114618776
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 56724202
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide (CID 114618909) is N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide is C=C(C)CNC(=O)c1cccnc1SC.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is ZPYNSOBZYGQSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(2)7-13-10(14)9-5-4-6-12-11(9)15-3/h4-6H,1,7H2,2-3H3,(H,13,14).
What are the key properties of N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 114618909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).