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

C12H16N4O3S — CID 104589608

IUPAC2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
SMILESCSC1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1
InChIInChI=1S/C12H16N4O3S/c1-20-9-3-2-7(4-9)15-12(17)10-5-8(16(18)19)6-14-11(10)13/h5-7,9H,2-4H2,1H3,(H2,13,14)(H,15,17)
InChIKeyIALJRSCUKSFYJB-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.59
Rot. Bonds4

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

2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide (PubChem CID 104589608) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
PubChem CID104589608
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
SMILESCSC1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1
InChIInChI=1S/C12H16N4O3S/c1-20-9-3-2-7(4-9)15-12(17)10-5-8(16(18)19)6-14-11(10)13/h5-7,9H,2-4H2,1H3,(H2,13,14)(H,15,17)
InChIKeyIALJRSCUKSFYJB-UHFFFAOYSA-N
XLogP1.59
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.59
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-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 104599368
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114122249
2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
CID 104589720
2-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
CID 104589465
2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 113429986
N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119477616
2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide
CID 99815703
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-nitropyridine-3-carboxamide
CID 104586290

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide (CID 104589608) is 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide is CSC1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1.
What is the InChIKey of 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide?
The InChIKey is IALJRSCUKSFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-20-9-3-2-7(4-9)15-12(17)10-5-8(16(18)19)6-14-11(10)13/h5-7,9H,2-4H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide?
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104589608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).