4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide

C13H21N5 — CID 114538182

IUPAC4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CC(C)N(C)C(C)C2)ccn1
InChIInChI=1S/C13H21N5/c1-9-7-18(8-10(2)17(9)3)11-4-5-16-12(6-11)13(14)15/h4-6,9-10H,7-8H2,1-3H3,(H3,14,15)
InChIKeyRSIMIZNKANSKBH-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.89
Rot. Bonds2

About 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide

4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide (PubChem CID 114538182) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
PubChem CID114538182
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CC(C)N(C)C(C)C2)ccn1
InChIInChI=1S/C13H21N5/c1-9-7-18(8-10(2)17(9)3)11-4-5-16-12(6-11)13(14)15/h4-6,9-10H,7-8H2,1-3H3,(H3,14,15)
InChIKeyRSIMIZNKANSKBH-UHFFFAOYSA-N
XLogP0.89
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.89
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'}

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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 62924914
4-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carboximidamide
CID 55156475
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 103356330
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide
CID 62937602
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
CID 102781467
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide (CID 114538182) is 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CC(C)N(C)C(C)C2)ccn1.
What is the InChIKey of 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide?
The InChIKey is RSIMIZNKANSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-7-18(8-10(2)17(9)3)11-4-5-16-12(6-11)13(14)15/h4-6,9-10H,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide?
4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 114538182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).