2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C15H24N4O — CID 76911921

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(CC(C)C)C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-9(2)8-19(12-5-6-12)15-13(14(16)18-20)10(3)7-11(4)17-15/h7,9,12,20H,5-6,8H2,1-4H3,(H2,16,18)
InChIKeyVGOQNAMOUADUNP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds5

About 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 76911921) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID76911921
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(CC(C)C)C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-9(2)8-19(12-5-6-12)15-13(14(16)18-20)10(3)7-11(4)17-15/h7,9,12,20H,5-6,8H2,1-4H3,(H2,16,18)
InChIKeyVGOQNAMOUADUNP-UHFFFAOYSA-N
XLogP2.42
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
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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Related Compounds

2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77022734
N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide
CID 61177125
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61175807
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76950939
N'-hydroxy-4,6-dimethyl-2-[methyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 61176932
N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide
CID 112660075
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76904065
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177320

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 76911921) is 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(N(CC(C)C)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is VGOQNAMOUADUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9(2)8-19(12-5-6-12)15-13(14(16)18-20)10(3)7-11(4)17-15/h7,9,12,20H,5-6,8H2,1-4H3,(H2,16,18).
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 76911921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).