Formamide, N-((tert-pentylamino)(3-pyridylamino)methylene)-

C12H18N4O — CID 48881

About Formamide, N-((tert-pentylamino)(3-pyridylamino)methylene)-

Formamide, N-((tert-pentylamino)(3-pyridylamino)methylene)- (PubChem CID 48881) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]formamide.

Molecular Properties

• Compound Name: Formamide, N-((tert-pentylamino)(3-pyridylamino)methylene)-
• PubChem CID: 48881
• Molecular Formula: C12H18N4O
• Molecular Weight: 234.30 g/mol
• Exact Mass: 234.15
• IUPAC Name: N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]formamide
• SMILES: CCC(C)(C)N=C(NC=O)NC1=CN=CC=C1
• InChIKey: NPPXEXPOHVWMNN-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 66.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: 276

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.30
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}