N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide

C8H8N3O2- — CID 86152246

IUPACN-oxido-N-(1-pyridin-4-ylethylideneamino)formamide
SMILESCC(=NN([O-])C=O)c1ccncc1
InChIInChI=1S/C8H8N3O2/c1-7(10-11(13)6-12)8-2-4-9-5-3-8/h2-6H,1H3/q-1
InChIKeyQLGQRRDCOUZCQH-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.76
Rot. Bonds3

About N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide

N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide (PubChem CID 86152246) has the molecular formula C8H8N3O2- and a molecular weight of 178.17 g/mol. Its IUPAC name is N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide.

Molecular Properties

Compound NameN-oxido-N-(1-pyridin-4-ylethylideneamino)formamide
PubChem CID86152246
Molecular FormulaC8H8N3O2-
Molecular Weight178.17 g/mol
Exact Mass178.06
IUPAC NameN-oxido-N-(1-pyridin-4-ylethylideneamino)formamide
SMILESCC(=NN([O-])C=O)c1ccncc1
InChIInChI=1S/C8H8N3O2/c1-7(10-11(13)6-12)8-2-4-9-5-3-8/h2-6H,1H3/q-1
InChIKeyQLGQRRDCOUZCQH-UHFFFAOYSA-N
XLogP0.76
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide?
The IUPAC name of N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide (CID 86152246) is N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide.
What is the SMILES notation for N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide?
The canonical SMILES for N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide is CC(=NN([O-])C=O)c1ccncc1.
What is the InChIKey of N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide?
The InChIKey is QLGQRRDCOUZCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3O2/c1-7(10-11(13)6-12)8-2-4-9-5-3-8/h2-6H,1H3/q-1.
What are the key properties of N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide?
N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide has a molecular weight of 178.17 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide is sourced from PubChem (CID 86152246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).