2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide

C10H14N4O3S — CID 113429986

IUPAC2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
SMILESCSCCCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C10H14N4O3S/c1-18-4-2-3-12-10(15)8-5-7(14(16)17)6-13-9(8)11/h5-6H,2-4H2,1H3,(H2,11,13)(H,12,15)
InChIKeyMKOTYXXSUVJFCW-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide

2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide (PubChem CID 113429986) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
PubChem CID113429986
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
SMILESCSCCCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C10H14N4O3S/c1-18-4-2-3-12-10(15)8-5-7(14(16)17)6-13-9(8)11/h5-6H,2-4H2,1H3,(H2,11,13)(H,12,15)
InChIKeyMKOTYXXSUVJFCW-UHFFFAOYSA-N
XLogP1.05
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 104599367
2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589434
2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
CID 104586620
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-N-(2-ethylsulfinylethyl)-5-nitropyridine-3-carboxamide
CID 104589277
2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
CID 107299437
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2,3-dichloro-N-(4-methylsulfanylbutyl)-5-nitrobenzamide
CID 107189461
2-amino-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 114090110
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide (CID 113429986) is 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide is CSCCCNC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide?
The InChIKey is MKOTYXXSUVJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-18-4-2-3-12-10(15)8-5-7(14(16)17)6-13-9(8)11/h5-6H,2-4H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide?
2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 113429986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).