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

C16H24N4O — CID 77022734

IUPAC2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C16H24N4O/c1-10-7-11(2)18-16(14(10)15(17)19-21)20(8-12-3-4-12)9-13-5-6-13/h7,12-13,21H,3-6,8-9H2,1-2H3,(H2,17,19)
InChIKeyFFANAUWPILFCGE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds6

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

2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 77022734) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID77022734
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C16H24N4O/c1-10-7-11(2)18-16(14(10)15(17)19-21)20(8-12-3-4-12)9-13-5-6-13/h7,12-13,21H,3-6,8-9H2,1-2H3,(H2,17,19)
InChIKeyFFANAUWPILFCGE-UHFFFAOYSA-N
XLogP2.42
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
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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Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 77022734) is 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(N(CC2CC2)CC2CC2)n1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is FFANAUWPILFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10-7-11(2)18-16(14(10)15(17)19-21)20(8-12-3-4-12)9-13-5-6-13/h7,12-13,21H,3-6,8-9H2,1-2H3,(H2,17,19).
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 288.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 77022734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).