N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide

C14H23N5O — CID 136960068

IUPACN'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
SMILESCC1CN(Cc2ccnc(/C(N)=N/O)c2)CC(C)N1C
InChIInChI=1S/C14H23N5O/c1-10-7-19(8-11(2)18(10)3)9-12-4-5-16-13(6-12)14(15)17-20/h4-6,10-11,20H,7-9H2,1-3H3,(H2,15,17)
InChIKeyJUOKBWHSMSPTTH-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.70
Rot. Bonds3

About N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 136960068) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID136960068
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
SMILESCC1CN(Cc2ccnc(/C(N)=N/O)c2)CC(C)N1C
InChIInChI=1S/C14H23N5O/c1-10-7-19(8-11(2)18(10)3)9-12-4-5-16-13(6-12)14(15)17-20/h4-6,10-11,20H,7-9H2,1-3H3,(H2,15,17)
InChIKeyJUOKBWHSMSPTTH-UHFFFAOYSA-N
XLogP0.70
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136726415
N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide
CID 136868751
N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
CID 136868244
4-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136733801
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136929322
N'-hydroxy-3-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 114537185
3-chloro-N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 102667525
N'-hydroxy-4-[[2-(hydroxymethyl)azepan-1-yl]methyl]pyridine-2-carboximidamide
CID 136941768
N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 136674901
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136980807
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide (CID 136960068) is N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide is CC1CN(Cc2ccnc(/C(N)=N/O)c2)CC(C)N1C.
What is the InChIKey of N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is JUOKBWHSMSPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-7-19(8-11(2)18(10)3)9-12-4-5-16-13(6-12)14(15)17-20/h4-6,10-11,20H,7-9H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136960068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).