N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide

C10H13N3O4 — CID 70098140

IUPACN-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-10(2,15)6-12-9(14)7-3-4-11-5-8(7)13(16)17/h3-5,15H,6H2,1-2H3,(H,12,14)
InChIKeyHHGFRJAYBOTWEM-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.49
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide

N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide (PubChem CID 70098140) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide
PubChem CID70098140
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-10(2,15)6-12-9(14)7-3-4-11-5-8(7)13(16)17/h3-5,15H,6H2,1-2H3,(H,12,14)
InChIKeyHHGFRJAYBOTWEM-UHFFFAOYSA-N
XLogP0.49
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.49
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

3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 131049000
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
4,5-difluoro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107214
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-(4-methylbenzoyl)-3-nitropyridine-4-carboxamide
CID 54125573
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-benzoyl-3-nitropyridine-4-carboxamide
CID 21405313
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-hydroxy-3-methyl-4-[(2-nitrobenzoyl)amino]butanoic acid
CID 66003127
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
N-(2-hydroxy-2-methylpropyl)-3-methylsulfanyl-4-nitrobenzamide
CID 134507911

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide (CID 70098140) is N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide is CC(C)(O)CNC(=O)c1ccncc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide?
The InChIKey is HHGFRJAYBOTWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2,15)6-12-9(14)7-3-4-11-5-8(7)13(16)17/h3-5,15H,6H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide?
N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide is sourced from PubChem (CID 70098140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).