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

C10H19N5 — CID 176522969

IUPACN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1
InChIInChI=1S/C10H19N5/c1-2-6-13-9(11)14-10(12)15-7-4-3-5-8-15/h3-4H,2,5-8H2,1H3,(H4,11,12,13,14)
InChIKeyZFLRBIZGILZTDO-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.50
Rot. Bonds2

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

N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 176522969) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID176522969
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1
InChIInChI=1S/C10H19N5/c1-2-6-13-9(11)14-10(12)15-7-4-3-5-8-15/h3-4H,2,5-8H2,1H3,(H4,11,12,13,14)
InChIKeyZFLRBIZGILZTDO-UHFFFAOYSA-N
XLogP0.50
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 176522969) is N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1.
What is the InChIKey of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is ZFLRBIZGILZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-6-13-9(11)14-10(12)15-7-4-3-5-8-15/h3-4H,2,5-8H2,1H3,(H4,11,12,13,14).
What are the key properties of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 209.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 176522969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).