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

C12H17N3O5 — CID 107202696

IUPACN-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCCCCO)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-14(5-3-2-4-6-16)12(18)10-7-9(15(19)20)8-13-11(10)17/h7-8,16H,2-6H2,1H3,(H,13,17)
InChIKeyPDYRORIIWGKHOX-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.52
Rot. Bonds7

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

N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 107202696) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID107202696
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCCCCO)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-14(5-3-2-4-6-16)12(18)10-7-9(15(19)20)8-13-11(10)17/h7-8,16H,2-6H2,1H3,(H,13,17)
InChIKeyPDYRORIIWGKHOX-UHFFFAOYSA-N
XLogP0.52
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
2-amino-3-chloro-N-(5-hydroxypentyl)-N-methyl-5-nitrobenzamide
CID 107201050
2-amino-5-fluoro-N-(5-hydroxypentyl)-N-methyl-3-nitrobenzamide
CID 107201138
N-(5-hydroxypentyl)-N-methyl-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 107202640
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 102635297
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
methyl 4-[methyl-(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoate
CID 54943132
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 103841090
N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 60715827
ethyl 4-[methyl-(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoate
CID 121003673

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide (CID 107202696) is N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide is CN(CCCCCO)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PDYRORIIWGKHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-14(5-3-2-4-6-16)12(18)10-7-9(15(19)20)8-13-11(10)17/h7-8,16H,2-6H2,1H3,(H,13,17).
What are the key properties of N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 107202696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).