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

C11H16N4O — CID 60984897

IUPAC6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(CC1CC1)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H16N4O/c1-15(7-8-2-3-8)10-5-4-9(6-13-10)11(12)14-16/h4-6,8,16H,2-3,7H2,1H3,(H2,12,14)
InChIKeyLOXMXHWKEMCMFY-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.02
Rot. Bonds4

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

6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 60984897) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID60984897
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(CC1CC1)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H16N4O/c1-15(7-8-2-3-8)10-5-4-9(6-13-10)11(12)14-16/h4-6,8,16H,2-3,7H2,1H3,(H2,12,14)
InChIKeyLOXMXHWKEMCMFY-UHFFFAOYSA-N
XLogP1.02
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.02
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-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide (CID 60984897) is 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide is CN(CC1CC1)c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is LOXMXHWKEMCMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15(7-8-2-3-8)10-5-4-9(6-13-10)11(12)14-16/h4-6,8,16H,2-3,7H2,1H3,(H2,12,14).
What are the key properties of 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 220.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 60984897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).