4-(aminomethylamino)pyridine-3-carbaldehyde

C7H9N3O — CID 123882832

IUPAC4-(aminomethylamino)pyridine-3-carbaldehyde
SMILESNCNc1ccncc1C=O
InChIInChI=1S/C7H9N3O/c8-5-10-7-1-2-9-3-6(7)4-11/h1-4H,5,8H2,(H,9,10)
InChIKeyJRPOFSUELNAHSQ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.22
Rot. Bonds3

About 4-(aminomethylamino)pyridine-3-carbaldehyde

4-(aminomethylamino)pyridine-3-carbaldehyde (PubChem CID 123882832) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-(aminomethylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethylamino)pyridine-3-carbaldehyde
PubChem CID123882832
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-(aminomethylamino)pyridine-3-carbaldehyde
SMILESNCNc1ccncc1C=O
InChIInChI=1S/C7H9N3O/c8-5-10-7-1-2-9-3-6(7)4-11/h1-4H,5,8H2,(H,9,10)
InChIKeyJRPOFSUELNAHSQ-UHFFFAOYSA-N
XLogP0.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethylamino)pyridine-3-carbaldehyde?
The IUPAC name of 4-(aminomethylamino)pyridine-3-carbaldehyde (CID 123882832) is 4-(aminomethylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(aminomethylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(aminomethylamino)pyridine-3-carbaldehyde is NCNc1ccncc1C=O.
What is the InChIKey of 4-(aminomethylamino)pyridine-3-carbaldehyde?
The InChIKey is JRPOFSUELNAHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-5-10-7-1-2-9-3-6(7)4-11/h1-4H,5,8H2,(H,9,10).
What are the key properties of 4-(aminomethylamino)pyridine-3-carbaldehyde?
4-(aminomethylamino)pyridine-3-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 123882832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).