N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide

C13H17N3O5 — CID 106364548

IUPACN-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1CO)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C13H17N3O5/c17-7-8-3-1-2-4-11(8)15-13(19)10-5-9(16(20)21)6-14-12(10)18/h5-6,8,11,17H,1-4,7H2,(H,14,18)(H,15,19)
InChIKeyYQIMFJSAUHGXSR-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.56
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 106364548) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID106364548
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1CO)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C13H17N3O5/c17-7-8-3-1-2-4-11(8)15-13(19)10-5-9(16(20)21)6-14-12(10)18/h5-6,8,11,17H,1-4,7H2,(H,14,18)(H,15,19)
InChIKeyYQIMFJSAUHGXSR-UHFFFAOYSA-N
XLogP0.56
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
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
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115362145
N-[2-(hydroxymethyl)cyclopentyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 103774083
N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 63251739
N-[2-(hydroxymethyl)cyclopentyl]-1H-indole-3-carboxamide
CID 103774231
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 102635297
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 86830444
4-bromo-N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrrole-2-carboxamide
CID 103774215

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide (CID 106364548) is N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCCCC1CO)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YQIMFJSAUHGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-7-8-3-1-2-4-11(8)15-13(19)10-5-9(16(20)21)6-14-12(10)18/h5-6,8,11,17H,1-4,7H2,(H,14,18)(H,15,19).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106364548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).