2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide

C11H14N4O3S — CID 107299437

IUPAC2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
SMILESCSC1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1
InChIInChI=1S/C11H14N4O3S/c1-19-11(2-3-11)6-14-10(16)8-4-7(15(17)18)5-13-9(8)12/h4-5H,2-3,6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyCNXAUDCAKRVMFA-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.20
Rot. Bonds5

About 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide

2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide (PubChem CID 107299437) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
PubChem CID107299437
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
SMILESCSC1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1
InChIInChI=1S/C11H14N4O3S/c1-19-11(2-3-11)6-14-10(16)8-4-7(15(17)18)5-13-9(8)12/h4-5H,2-3,6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyCNXAUDCAKRVMFA-UHFFFAOYSA-N
XLogP1.20
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.20
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-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 113429986
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
CID 104586620
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitrobenzamide
CID 107271630
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589434
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-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
CID 107299490
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
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-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide (CID 107299437) is 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide is CSC1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1.
What is the InChIKey of 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide?
The InChIKey is CNXAUDCAKRVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-19-11(2-3-11)6-14-10(16)8-4-7(15(17)18)5-13-9(8)12/h4-5H,2-3,6H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide?
2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 107299437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).