N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide

C12H19N5 — CID 161070242

IUPACN'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CC=CCC1)N1CC=CCC1
InChIInChI=1S/C12H19N5/c13-11(16-7-3-1-4-8-16)15-12(14)17-9-5-2-6-10-17/h1-3,5H,4,6-10H2,(H3,13,14,15)
InChIKeyUEOGYOZPAPDUJO-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.76
Rot. Bonds

About N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 161070242) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID161070242
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CC=CCC1)N1CC=CCC1
InChIInChI=1S/C12H19N5/c13-11(16-7-3-1-4-8-16)15-12(14)17-9-5-2-6-10-17/h1-3,5H,4,6-10H2,(H3,13,14,15)
InChIKeyUEOGYOZPAPDUJO-UHFFFAOYSA-N
XLogP0.76
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 161070242) is N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(/N=C(N)N1CC=CCC1)N1CC=CCC1.
What is the InChIKey of N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is UEOGYOZPAPDUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-11(16-7-3-1-4-8-16)15-12(14)17-9-5-2-6-10-17/h1-3,5H,4,6-10H2,(H3,13,14,15).
What are the key properties of N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 161070242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).