N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide

C12H18N4O — CID 136710814

IUPACN-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N4O/c13-16-12(9-6-7-11(17)14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5,13H2,(H,14,17)(H,15,16)
InChIKeyKBVMUBKCDPWYJY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.92
Rot. Bonds2

About N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide

N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide (PubChem CID 136710814) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide
PubChem CID136710814
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N4O/c13-16-12(9-6-7-11(17)14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5,13H2,(H,14,17)(H,15,16)
InChIKeyKBVMUBKCDPWYJY-UHFFFAOYSA-N
XLogP0.92
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide (CID 136710814) is N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide is NN/C(=N\C1CCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is KBVMUBKCDPWYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-16-12(9-6-7-11(17)14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5,13H2,(H,14,17)(H,15,16).
What are the key properties of N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide?
N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 136710814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).