2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide

C11H16N4O3S — CID 104589434

IUPAC2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
SMILESCSCCC(C)NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H16N4O3S/c1-7(3-4-19-2)14-11(16)9-5-8(15(17)18)6-13-10(9)12/h5-7H,3-4H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyOSQJXKHFNYWARC-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.44
Rot. Bonds6

About 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide

2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide (PubChem CID 104589434) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
PubChem CID104589434
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
SMILESCSCCC(C)NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H16N4O3S/c1-7(3-4-19-2)14-11(16)9-5-8(15(17)18)6-13-10(9)12/h5-7H,3-4H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyOSQJXKHFNYWARC-UHFFFAOYSA-N
XLogP1.44
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-N-(1-ethylsulfanylpropan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589699
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 113429986
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
CID 104589465
2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
CID 107299437
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
4,5-difluoro-N-(4-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 115636184

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide (CID 104589434) is 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide is CSCCC(C)NC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide?
The InChIKey is OSQJXKHFNYWARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7(3-4-19-2)14-11(16)9-5-8(15(17)18)6-13-10(9)12/h5-7H,3-4H2,1-2H3,(H2,12,13)(H,14,16).
What are the key properties of 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide?
2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104589434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).