5-(propan-2-ylamino)pyridine-2-carboximidamide

C9H14N4 — CID 115489626

IUPAC5-(propan-2-ylamino)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(NC(C)C)cn1
InChIInChI=1S/C9H14N4/c1-6(2)13-7-3-4-8(9(10)11)12-5-7/h3-6,13H,1-2H3,(H3,10,11)
InChIKeyDKQBMBVGXAYYEJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.19
Rot. Bonds3

About 5-(propan-2-ylamino)pyridine-2-carboximidamide

5-(propan-2-ylamino)pyridine-2-carboximidamide (PubChem CID 115489626) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(propan-2-ylamino)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(propan-2-ylamino)pyridine-2-carboximidamide
PubChem CID115489626
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-(propan-2-ylamino)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(NC(C)C)cn1
InChIInChI=1S/C9H14N4/c1-6(2)13-7-3-4-8(9(10)11)12-5-7/h3-6,13H,1-2H3,(H3,10,11)
InChIKeyDKQBMBVGXAYYEJ-UHFFFAOYSA-N
XLogP1.19
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylamino)pyridine-2-carboximidamide
CID 71756788
6-(propan-2-ylamino)pyridine-3-carboximidamide
CID 62199546
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
CID 62946876
5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 106836148
5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
CID 115489703
5-(2-methylphenoxy)pyridine-2-carboximidamide
CID 113321278
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
N-(2,6-dichlorophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179818
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
CID 115489787

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)pyridine-2-carboximidamide?
The IUPAC name of 5-(propan-2-ylamino)pyridine-2-carboximidamide (CID 115489626) is 5-(propan-2-ylamino)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(propan-2-ylamino)pyridine-2-carboximidamide?
The canonical SMILES for 5-(propan-2-ylamino)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(NC(C)C)cn1.
What is the InChIKey of 5-(propan-2-ylamino)pyridine-2-carboximidamide?
The InChIKey is DKQBMBVGXAYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(2)13-7-3-4-8(9(10)11)12-5-7/h3-6,13H,1-2H3,(H3,10,11).
What are the key properties of 5-(propan-2-ylamino)pyridine-2-carboximidamide?
5-(propan-2-ylamino)pyridine-2-carboximidamide has a molecular weight of 178.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)pyridine-2-carboximidamide is sourced from PubChem (CID 115489626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).