6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide

C10H14N4O — CID 43265005

IUPAC6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(c1ccc(/C(N)=N/O)cn1)C1CC1
InChIInChI=1S/C10H14N4O/c1-14(8-3-4-8)9-5-2-7(6-12-9)10(11)13-15/h2,5-6,8,15H,3-4H2,1H3,(H2,11,13)
InChIKeyPKCZXUUKCWPXLN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.77
Rot. Bonds3

About 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide

6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43265005) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID43265005
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(c1ccc(/C(N)=N/O)cn1)C1CC1
InChIInChI=1S/C10H14N4O/c1-14(8-3-4-8)9-5-2-7(6-12-9)10(11)13-15/h2,5-6,8,15H,3-4H2,1H3,(H2,11,13)
InChIKeyPKCZXUUKCWPXLN-UHFFFAOYSA-N
XLogP0.77
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide (CID 43265005) is 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide is CN(c1ccc(/C(N)=N/O)cn1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is PKCZXUUKCWPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14(8-3-4-8)9-5-2-7(6-12-9)10(11)13-15/h2,5-6,8,15H,3-4H2,1H3,(H2,11,13).
What are the key properties of 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 206.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43265005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).