2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide

C13H18N4O3 — CID 104589791

IUPAC2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
SMILESCC1(C)C(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1(C)C
InChIInChI=1S/C13H18N4O3/c1-12(2)11(13(12,3)4)16-10(18)8-5-7(17(19)20)6-15-9(8)14/h5-6,11H,1-4H3,(H2,14,15)(H,16,18)
InChIKeyVUEUYJLVLVJEGM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide

2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide (PubChem CID 104589791) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
PubChem CID104589791
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
SMILESCC1(C)C(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1(C)C
InChIInChI=1S/C13H18N4O3/c1-12(2)11(13(12,3)4)16-10(18)8-5-7(17(19)20)6-15-9(8)14/h5-6,11H,1-4H3,(H2,14,15)(H,16,18)
InChIKeyVUEUYJLVLVJEGM-UHFFFAOYSA-N
XLogP1.74
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
CID 104589720
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 104599368
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-nitropyridine-3-carboxamide
CID 104586290
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
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-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
CID 104589465

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide (CID 104589791) is 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide is CC1(C)C(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1(C)C.
What is the InChIKey of 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
The InChIKey is VUEUYJLVLVJEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-12(2)11(13(12,3)4)16-10(18)8-5-7(17(19)20)6-15-9(8)14/h5-6,11H,1-4H3,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 104589791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).