N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide

C13H17N3O5 — CID 102635297

IUPACN-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCCC1O
InChIInChI=1S/C13H17N3O5/c1-15(10-4-2-3-5-11(10)17)13(19)9-6-8(16(20)21)7-14-12(9)18/h6-7,10-11,17H,2-5H2,1H3,(H,14,18)
InChIKeyIFYLJLQKYBTCRQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.66
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 102635297) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID102635297
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCCC1O
InChIInChI=1S/C13H17N3O5/c1-15(10-4-2-3-5-11(10)17)13(19)9-6-8(16(20)21)7-14-12(9)18/h6-7,10-11,17H,2-5H2,1H3,(H,14,18)
InChIKeyIFYLJLQKYBTCRQ-UHFFFAOYSA-N
XLogP0.66
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.66
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

N-[(2-hydroxycyclohexyl)methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 64929275
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
CID 19061815
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 102634964
N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 107202696
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one
CID 63106058
N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 106364548
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
N-(2-hydroxycyclohexyl)-N,1-dimethyl-5-nitropyrrole-2-carboxamide
CID 102634739
N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide
CID 102634684
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115362145

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide (CID 102635297) is N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide is CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IFYLJLQKYBTCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15(10-4-2-3-5-11(10)17)13(19)9-6-8(16(20)21)7-14-12(9)18/h6-7,10-11,17H,2-5H2,1H3,(H,14,18).
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 102635297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).