N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C12H16F3N3O2 — CID 119523407

IUPACN-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)(CN)NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2/c1-11(2,6-16)18-10(19)8-3-4-9(17-5-8)20-7-12(13,14)15/h3-5H,6-7,16H2,1-2H3,(H,18,19)
InChIKeyCYFKWXWWLPUUDU-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.49
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 119523407) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID119523407
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)(CN)NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2/c1-11(2,6-16)18-10(19)8-3-4-9(17-5-8)20-7-12(13,14)15/h3-5H,6-7,16H2,1-2H3,(H,18,19)
InChIKeyCYFKWXWWLPUUDU-UHFFFAOYSA-N
XLogP1.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119525133
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119572061
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-(benzenecarboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146674404
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)benzenecarboximidoyl]pyridine-3-carboxamide
CID 171130037

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 119523407) is N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(C)(CN)NC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is CYFKWXWWLPUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-11(2,6-16)18-10(19)8-3-4-9(17-5-8)20-7-12(13,14)15/h3-5H,6-7,16H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.49, 5 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-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119523407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).