2-[(6-nitro-3-pyridinyl)amino]acetamide

C7H8N4O3 — CID 62544384

IUPAC2-[(6-nitro-3-pyridinyl)amino]acetamide
SMILESNC(=O)CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C7H8N4O3/c8-6(12)4-9-5-1-2-7(10-3-5)11(13)14/h1-3,9H,4H2,(H2,8,12)
InChIKeyAQKOZBOMKSLCDO-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.11
Rot. Bonds4

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

2-[(6-nitro-3-pyridinyl)amino]acetamide (PubChem CID 62544384) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-[(6-nitro-3-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-nitro-3-pyridinyl)amino]acetamide
PubChem CID62544384
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-[(6-nitro-3-pyridinyl)amino]acetamide
SMILESNC(=O)CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C7H8N4O3/c8-6(12)4-9-5-1-2-7(10-3-5)11(13)14/h1-3,9H,4H2,(H2,8,12)
InChIKeyAQKOZBOMKSLCDO-UHFFFAOYSA-N
XLogP-0.11
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[(6-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 62542575
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
N-benzyl-6-nitropyridin-3-amine
CID 55024435
1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
CID 63730786
2-methyl-2-[(6-nitro-3-pyridinyl)amino]butanoic acid
CID 79792047
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
4-[2-[(6-nitro-3-pyridinyl)amino]ethyl]benzoic acid
CID 43665841
3-[[(6-nitro-3-pyridinyl)amino]methyl]benzoic acid
CID 60894072
6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine
CID 106418902
N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
CID 62545034

Frequently Asked Questions

What is the IUPAC name of 2-[(6-nitro-3-pyridinyl)amino]acetamide?
The IUPAC name of 2-[(6-nitro-3-pyridinyl)amino]acetamide (CID 62544384) is 2-[(6-nitro-3-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[(6-nitro-3-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[(6-nitro-3-pyridinyl)amino]acetamide is NC(=O)CNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 2-[(6-nitro-3-pyridinyl)amino]acetamide?
The InChIKey is AQKOZBOMKSLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c8-6(12)4-9-5-1-2-7(10-3-5)11(13)14/h1-3,9H,4H2,(H2,8,12).
What are the key properties of 2-[(6-nitro-3-pyridinyl)amino]acetamide?
2-[(6-nitro-3-pyridinyl)amino]acetamide has a molecular weight of 196.17 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-nitro-3-pyridinyl)amino]acetamide is sourced from PubChem (CID 62544384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).