N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide

C15H17F4N3O — CID 22243434

IUPACN-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1cc(C(F)(F)F)c(F)cn1
InChIInChI=1S/C15H17F4N3O/c16-12-7-20-13(6-11(12)15(17,18)19)14(23)21-10-5-9-1-3-22(8-10)4-2-9/h6-7,9-10H,1-5,8H2,(H,21,23)
InChIKeyMRAKMLQGELGBDA-UHFFFAOYSA-N
MW331.31 g/mol
LogP2.45
Rot. Bonds2

About N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide

N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 22243434) has the molecular formula C15H17F4N3O and a molecular weight of 331.31 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID22243434
Molecular FormulaC15H17F4N3O
Molecular Weight331.31 g/mol
Exact Mass331.13
IUPAC NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1cc(C(F)(F)F)c(F)cn1
InChIInChI=1S/C15H17F4N3O/c16-12-7-20-13(6-11(12)15(17,18)19)14(23)21-10-5-9-1-3-22(8-10)4-2-9/h6-7,9-10H,1-5,8H2,(H,21,23)
InChIKeyMRAKMLQGELGBDA-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide
CID 66814815
N-(1-azabicyclo[3.2.1]octan-3-yl)-[1,3]thiazolo[5,4-c]pyridine-6-carboxamide
CID 22591307
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide
CID 66814494

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide (CID 22243434) is N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide is O=C(NC1CC2CCN(CC2)C1)c1cc(C(F)(F)F)c(F)cn1.
What is the InChIKey of N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MRAKMLQGELGBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3O/c16-12-7-20-13(6-11(12)15(17,18)19)14(23)21-10-5-9-1-3-22(8-10)4-2-9/h6-7,9-10H,1-5,8H2,(H,21,23).
What are the key properties of N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide?
N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 331.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 22243434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).