N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide

C11H15F3N4O — CID 135965054

IUPACN'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
SMILESCCCN(CC(F)(F)F)c1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C11H15F3N4O/c1-2-5-18(7-11(12,13)14)8-3-4-16-9(6-8)10(15)17-19/h3-4,6,19H,2,5,7H2,1H3,(H2,15,17)
InChIKeyBGCZACGYEYPQPL-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.95
Rot. Bonds5

About N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide

N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide (PubChem CID 135965054) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
PubChem CID135965054
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
SMILESCCCN(CC(F)(F)F)c1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C11H15F3N4O/c1-2-5-18(7-11(12,13)14)8-3-4-16-9(6-8)10(15)17-19/h3-4,6,19H,2,5,7H2,1H3,(H2,15,17)
InChIKeyBGCZACGYEYPQPL-UHFFFAOYSA-N
XLogP1.95
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.95
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

4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085
2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
CID 61007224
4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide
CID 154430664
N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136952000
2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 55010418
2-fluoro-4-[propyl(2,2,2-trifluoroethyl)amino]benzenecarbothioamide
CID 115368172
4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide
CID 135965118
4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide (CID 135965054) is N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide is CCCN(CC(F)(F)F)c1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide?
The InChIKey is BGCZACGYEYPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-2-5-18(7-11(12,13)14)8-3-4-16-9(6-8)10(15)17-19/h3-4,6,19H,2,5,7H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide?
N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide has a molecular weight of 276.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 135965054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).