2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide

C10H12N4O4 — CID 104599368

IUPAC2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)NC1CCOC1
InChIInChI=1S/C10H12N4O4/c11-9-8(3-7(4-12-9)14(16)17)10(15)13-6-1-2-18-5-6/h3-4,6H,1-2,5H2,(H2,11,12)(H,13,15)
InChIKeyIQDJRPWYVJFFLB-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.09
Rot. Bonds3

About 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide

2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide (PubChem CID 104599368) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
PubChem CID104599368
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)NC1CCOC1
InChIInChI=1S/C10H12N4O4/c11-9-8(3-7(4-12-9)14(16)17)10(15)13-6-1-2-18-5-6/h3-4,6H,1-2,5H2,(H2,11,12)(H,13,15)
InChIKeyIQDJRPWYVJFFLB-UHFFFAOYSA-N
XLogP0.09
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.09
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-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-iodo-5-nitro-N-(oxan-3-yl)benzamide
CID 63363525
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
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
CID 104589465
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
CID 104589720
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide (CID 104599368) is 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide is Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCOC1.
What is the InChIKey of 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide?
The InChIKey is IQDJRPWYVJFFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c11-9-8(3-7(4-12-9)14(16)17)10(15)13-6-1-2-18-5-6/h3-4,6H,1-2,5H2,(H2,11,12)(H,13,15).
What are the key properties of 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide?
2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide has a molecular weight of 252.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 104599368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).