2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide

C10H15N5O3 — CID 80792164

IUPAC2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c1-6(2)13-9(16)5-12-10-7(15(17)18)3-4-8(11)14-10/h3-4,6H,5H2,1-2H3,(H,13,16)(H3,11,12,14)
InChIKeyONSDJLKPAOIKQG-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.51
Rot. Bonds5

About 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide

2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide (PubChem CID 80792164) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
PubChem CID80792164
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c1-6(2)13-9(16)5-12-10-7(15(17)18)3-4-8(11)14-10/h3-4,6H,5H2,1-2H3,(H,13,16)(H3,11,12,14)
InChIKeyONSDJLKPAOIKQG-UHFFFAOYSA-N
XLogP0.51
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.51
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

3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 80841044
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
methyl 2-[(6-amino-3-nitro-2-pyridinyl)amino]propanoate
CID 70979729
3-[[(6-amino-3-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 80842997
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 80850691
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793356
3-nitro-2-N-(3-phenylbutyl)pyridine-2,6-diamine
CID 80807970
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468
3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine
CID 80849081
2-N-(3-ethylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80839068
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106332163

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide (CID 80792164) is 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The InChIKey is ONSDJLKPAOIKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-6(2)13-9(16)5-12-10-7(15(17)18)3-4-8(11)14-10/h3-4,6H,5H2,1-2H3,(H,13,16)(H3,11,12,14).
What are the key properties of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide has a molecular weight of 253.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80792164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).