3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide

C9H11N3O5 — CID 171899165

IUPAC3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide
SMILESNC(=O)CC(O)C(O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N3O5/c10-8(14)3-7(13)9(15)6-2-1-5(4-11-6)12(16)17/h1-2,4,7,9,13,15H,3H2,(H2,10,14)
InChIKeyFHMGHZKEXMSJSV-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.74
Rot. Bonds5

About 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide

3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide (PubChem CID 171899165) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide
PubChem CID171899165
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide
SMILESNC(=O)CC(O)C(O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N3O5/c10-8(14)3-7(13)9(15)6-2-1-5(4-11-6)12(16)17/h1-2,4,7,9,13,15H,3H2,(H2,10,14)
InChIKeyFHMGHZKEXMSJSV-UHFFFAOYSA-N
XLogP-0.74
TPSA139.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.74
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'}

Analyze 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide 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

3-chloro-1-(5-nitro-2-pyridinyl)propane-1,2-diol
CID 171862025
1-(5-nitro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874083
4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898842
3,4-dihydroxy-4-(6-nitro-3-pyridinyl)butanamide
CID 171899162
3-[(5-nitro-2-pyridinyl)amino]butanamide
CID 115647561
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
3,3-dimethyl-2-(5-nitro-2-pyridinyl)butanoic acid
CID 118156200
4-methyl-2-(5-nitro-2-pyridinyl)pentanoic acid
CID 104571787
5-nitropyridine-2-carbothioamide
CID 82668935
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653
2-(5-nitro-2-pyridinyl)-3-phenylpropanoic acid
CID 104571604
(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide (CID 171899165) is 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide is NC(=O)CC(O)C(O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide?
The InChIKey is FHMGHZKEXMSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c10-8(14)3-7(13)9(15)6-2-1-5(4-11-6)12(16)17/h1-2,4,7,9,13,15H,3H2,(H2,10,14).
What are the key properties of 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide?
3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide has a molecular weight of 241.20 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide is sourced from PubChem (CID 171899165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).