N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride

C13H18ClF4N3O2 — CID 119525133

IUPACN-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1.Cl
InChIInChI=1S/C13H17F4N3O2.ClH/c1-12(2,6-18)20-10(21)8-3-4-9(19-5-8)22-7-13(16,17)11(14)15;/h3-5,11H,6-7,18H2,1-2H3,(H,20,21);1H
InChIKeyUCPHICUUKZCQBT-UHFFFAOYSA-N
MW359.75 g/mol
LogP2.25
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride (PubChem CID 119525133) has the molecular formula C13H18ClF4N3O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
PubChem CID119525133
Molecular FormulaC13H18ClF4N3O2
Molecular Weight359.75 g/mol
Exact Mass359.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1.Cl
InChIInChI=1S/C13H17F4N3O2.ClH/c1-12(2,6-18)20-10(21)8-3-4-9(19-5-8)22-7-13(16,17)11(14)15;/h3-5,11H,6-7,18H2,1-2H3,(H,20,21);1H
InChIKeyUCPHICUUKZCQBT-UHFFFAOYSA-N
XLogP2.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride (CID 119525133) is N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride is CC(C)(CN)NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
The InChIKey is UCPHICUUKZCQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3O2.ClH/c1-12(2,6-18)20-10(21)8-3-4-9(19-5-8)22-7-13(16,17)11(14)15;/h3-5,11H,6-7,18H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride has a molecular weight of 359.75 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119525133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).