N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide

C14H22N4O — CID 136812700

IUPACN-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide
SMILESCc1cc(=O)c(/C(=N/C2CCCCCC2)NN)c[nH]1
InChIInChI=1S/C14H22N4O/c1-10-8-13(19)12(9-16-10)14(18-15)17-11-6-4-2-3-5-7-11/h8-9,11H,2-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyIOGIFHVANQXKID-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.62
Rot. Bonds2

About N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide

N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide (PubChem CID 136812700) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide
PubChem CID136812700
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide
SMILESCc1cc(=O)c(/C(=N/C2CCCCCC2)NN)c[nH]1
InChIInChI=1S/C14H22N4O/c1-10-8-13(19)12(9-16-10)14(18-15)17-11-6-4-2-3-5-7-11/h8-9,11H,2-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyIOGIFHVANQXKID-UHFFFAOYSA-N
XLogP1.62
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.62
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'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide (CID 136812700) is N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide is Cc1cc(=O)c(/C(=N/C2CCCCCC2)NN)c[nH]1.
What is the InChIKey of N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is IOGIFHVANQXKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-13(19)12(9-16-10)14(18-15)17-11-6-4-2-3-5-7-11/h8-9,11H,2-7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide?
N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 136812700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).