N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride

C13H15ClN4O2 — CID 18552131

IUPACN-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
SMILESNc1ccc(N(O)C(=O)C[n+]2ccccc2)c(N)c1.[Cl-]
InChIInChI=1S/C13H15N4O2.ClH/c14-10-4-5-12(11(15)8-10)17(19)13(18)9-16-6-2-1-3-7-16;/h1-8,19H,9,14-15H2;1H/q+1;/p-1
InChIKeyULNZWLHRFIIUII-UHFFFAOYSA-M
MW294.74 g/mol
LogP-2.44
Rot. Bonds3

About N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride

N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride (PubChem CID 18552131) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
PubChem CID18552131
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
SMILESNc1ccc(N(O)C(=O)C[n+]2ccccc2)c(N)c1.[Cl-]
InChIInChI=1S/C13H15N4O2.ClH/c14-10-4-5-12(11(15)8-10)17(19)13(18)9-16-6-2-1-3-7-16;/h1-8,19H,9,14-15H2;1H/q+1;/p-1
InChIKeyULNZWLHRFIIUII-UHFFFAOYSA-M
XLogP-2.44
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
The IUPAC name of N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride (CID 18552131) is N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride.
What is the SMILES notation for N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
The canonical SMILES for N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride is Nc1ccc(N(O)C(=O)C[n+]2ccccc2)c(N)c1.[Cl-].
What is the InChIKey of N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
The InChIKey is ULNZWLHRFIIUII-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N4O2.ClH/c14-10-4-5-12(11(15)8-10)17(19)13(18)9-16-6-2-1-3-7-16;/h1-8,19H,9,14-15H2;1H/q+1;/p-1.
What are the key properties of N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride has a molecular weight of 294.74 g/mol, XLogP of -2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride is sourced from PubChem (CID 18552131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).