N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide

C8H8N4O5 — CID 60715827

IUPACN-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C8H8N4O5/c9-6(13)3-11-8(15)5-1-4(12(16)17)2-10-7(5)14/h1-2H,3H2,(H2,9,13)(H,10,14)(H,11,15)
InChIKeyZNSWQFWRVCRJPU-UHFFFAOYSA-N
MW240.17 g/mol
LogP-1.50
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 60715827) has the molecular formula C8H8N4O5 and a molecular weight of 240.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID60715827
Molecular FormulaC8H8N4O5
Molecular Weight240.17 g/mol
Exact Mass240.05
IUPAC NameN-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C8H8N4O5/c9-6(13)3-11-8(15)5-1-4(12(16)17)2-10-7(5)14/h1-2H,3H2,(H2,9,13)(H,10,14)(H,11,15)
InChIKeyZNSWQFWRVCRJPU-UHFFFAOYSA-N
XLogP-1.50
TPSA148.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 5-1.50
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'}

Analyze N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
(2S)-4-amino-2-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 63715717
N-[(2-hydroxycyclohexyl)methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 64929275
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115362145
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 103841090
5-nitro-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 64547433
3-methyl-3-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 64671123
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
N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115609335
2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
CID 83814946
ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 71081983

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide (CID 60715827) is N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide is NC(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZNSWQFWRVCRJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O5/c9-6(13)3-11-8(15)5-1-4(12(16)17)2-10-7(5)14/h1-2H,3H2,(H2,9,13)(H,10,14)(H,11,15).
What are the key properties of N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 240.17 g/mol, XLogP of -1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60715827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).