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

C13H17N3O5 — CID 115362145

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C13H17N3O5/c17-8-13(3-1-2-4-13)7-15-12(19)10-5-9(16(20)21)6-14-11(10)18/h5-6,17H,1-4,7-8H2,(H,14,18)(H,15,19)
InChIKeyOPFYKOKXMNZHFO-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.57
Rot. Bonds5

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

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 115362145) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID115362145
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C13H17N3O5/c17-8-13(3-1-2-4-13)7-15-12(19)10-5-9(16(20)21)6-14-11(10)18/h5-6,17H,1-4,7-8H2,(H,14,18)(H,15,19)
InChIKeyOPFYKOKXMNZHFO-UHFFFAOYSA-N
XLogP0.57
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.57
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

5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide
CID 115359343
N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 60715827
N-[(2-hydroxycyclohexyl)methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 64929275
N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 106364548
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
3-methyl-3-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 64671123
1-[[(4-nitro-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445101
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 115362547
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 103841090
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 115701147
5-nitro-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 64547433

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide (CID 115362145) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC1(CO)CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OPFYKOKXMNZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-8-13(3-1-2-4-13)7-15-12(19)10-5-9(16(20)21)6-14-11(10)18/h5-6,17H,1-4,7-8H2,(H,14,18)(H,15,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115362145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).