2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide

C14H22N4O — CID 76916100

IUPAC2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C14H22N4O/c1-3-8-18(9-11-5-6-11)14-12(13(15)17-19)7-4-10(2)16-14/h4,7,11,19H,3,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyICKYIFGSXGTTRT-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.11
Rot. Bonds6

About 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916100) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916100
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C14H22N4O/c1-3-8-18(9-11-5-6-11)14-12(13(15)17-19)7-4-10(2)16-14/h4,7,11,19H,3,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyICKYIFGSXGTTRT-UHFFFAOYSA-N
XLogP2.11
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.11
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 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916100) is 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide is CCCN(CC1CC1)c1nc(C)ccc1C(N)=NO.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is ICKYIFGSXGTTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-8-18(9-11-5-6-11)14-12(13(15)17-19)7-4-10(2)16-14/h4,7,11,19H,3,5-6,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).