2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide

C9H12N4O4 — CID 115321439

IUPAC2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H12N4O4/c1-5(8(10)14)11-9-6(13(15)16)3-4-7(12-9)17-2/h3-5H,1-2H3,(H2,10,14)(H,11,12)
InChIKeyOYCCRAPWXBUTNM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.28
Rot. Bonds5

About 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide

2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide (PubChem CID 115321439) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
PubChem CID115321439
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H12N4O4/c1-5(8(10)14)11-9-6(13(15)16)3-4-7(12-9)17-2/h3-5H,1-2H3,(H2,10,14)(H,11,12)
InChIKeyOYCCRAPWXBUTNM-UHFFFAOYSA-N
XLogP0.28
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
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

3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
methyl (2R)-2-[(6-bromo-3-nitro-2-pyridinyl)amino]propanoate
CID 149218444
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
methyl 2-[(6-amino-3-nitro-2-pyridinyl)amino]propanoate
CID 70979729
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444
methyl (2S)-2-[(3-nitro-6-phenyl-2-pyridinyl)amino]propanoate
CID 57171837
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115321276

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide (CID 115321439) is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide is COc1ccc([N+](=O)[O-])c(NC(C)C(N)=O)n1.
What is the InChIKey of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is OYCCRAPWXBUTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-5(8(10)14)11-9-6(13(15)16)3-4-7(12-9)17-2/h3-5H,1-2H3,(H2,10,14)(H,11,12).
What are the key properties of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 240.22 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 115321439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).