N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

C13H11ClN3O2- — CID 169022950

IUPACN-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1cc(N[O-])ccn1
InChIInChI=1S/C13H11ClN3O2/c1-9(18)17(12-4-2-3-10(14)7-12)13-8-11(16-19)5-6-15-13/h2-8H,1H3,(H-,15,16,19)/q-1
InChIKeyONDIMGANJBJWOU-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.33
Rot. Bonds3

About N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (PubChem CID 169022950) has the molecular formula C13H11ClN3O2- and a molecular weight of 276.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
PubChem CID169022950
Molecular FormulaC13H11ClN3O2-
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC NameN-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1cc(N[O-])ccn1
InChIInChI=1S/C13H11ClN3O2/c1-9(18)17(12-4-2-3-10(14)7-12)13-8-11(16-19)5-6-15-13/h2-8H,1H3,(H-,15,16,19)/q-1
InChIKeyONDIMGANJBJWOU-UHFFFAOYSA-N
XLogP3.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (CID 169022950) is N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is CC(=O)N(c1cccc(Cl)c1)c1cc(N[O-])ccn1.
What is the InChIKey of N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The InChIKey is ONDIMGANJBJWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN3O2/c1-9(18)17(12-4-2-3-10(14)7-12)13-8-11(16-19)5-6-15-13/h2-8H,1H3,(H-,15,16,19)/q-1.
What are the key properties of N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide has a molecular weight of 276.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 169022950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).