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

C12H20ClN5 — CID 161070241

IUPACN'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N1CC=CCC1)N1CC=CCC1
InChIInChI=1S/C12H19N5.ClH/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);1H
InChIKeySNQSGMZPEIPFQN-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.18
Rot. Bonds

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

N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (PubChem CID 161070241) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
PubChem CID161070241
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC NameN'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N1CC=CCC1)N1CC=CCC1
InChIInChI=1S/C12H19N5.ClH/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);1H
InChIKeySNQSGMZPEIPFQN-UHFFFAOYSA-N
XLogP1.18
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.18
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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Related Compounds

3,6-dihydro-2H-pyridine-1-carboximidamide
CID 19089264
2,4-diamino-6-[3,6-dihydro-1(2H)-pyridyl]-s-triazine-3-oxide
CID 20535091
N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321248
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321571
N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89570433
N'-cyano-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 118593778
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
CID 121267941
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123313033
N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123384054
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123587776

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (CID 161070241) is N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride is Cl.[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;hydrochloride?
The InChIKey is SNQSGMZPEIPFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.ClH/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);1H.
What are the key properties of N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 1.18, 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;hydrochloride is sourced from PubChem (CID 161070241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).