2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid

C9H10N4O5 — CID 114089839

IUPAC2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)c([N+](=O)[O-])cn1)C(N)=O
InChIInChI=1S/C9H10N4O5/c1-4(8(10)14)12-7-2-5(9(15)16)6(3-11-7)13(17)18/h2-4H,1H3,(H2,10,14)(H,11,12)(H,15,16)
InChIKeyQEIGYNTXQCLESN-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.03
Rot. Bonds5

About 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid

2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid (PubChem CID 114089839) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
PubChem CID114089839
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)c([N+](=O)[O-])cn1)C(N)=O
InChIInChI=1S/C9H10N4O5/c1-4(8(10)14)12-7-2-5(9(15)16)6(3-11-7)13(17)18/h2-4H,1H3,(H2,10,14)(H,11,12)(H,15,16)
InChIKeyQEIGYNTXQCLESN-UHFFFAOYSA-N
XLogP-0.03
TPSA148.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
5-[(1-amino-1-oxopropan-2-yl)amino]-2-fluoro-4-nitrobenzoic acid
CID 113442894
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 106748995
2-(4-hydroxybutylamino)-5-nitropyridine-4-carboxylic acid
CID 114089930
2-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 61147205
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
2-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133343540
5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid
CID 114089874
4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 79174122
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
CID 133388185

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid (CID 114089839) is 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid is CC(Nc1cc(C(=O)O)c([N+](=O)[O-])cn1)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid?
The InChIKey is QEIGYNTXQCLESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c1-4(8(10)14)12-7-2-5(9(15)16)6(3-11-7)13(17)18/h2-4H,1H3,(H2,10,14)(H,11,12)(H,15,16).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid?
2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid has a molecular weight of 254.20 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 114089839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).