3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C22H25FN4O2 — CID 67070085

IUPAC3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCN(C)C(=O)N1C2CCC1CC(NC(=O)c1ccc(-c3cccc(F)c3)nc1)C2
InChIInChI=1S/C22H25FN4O2/c1-26(2)22(29)27-18-7-8-19(27)12-17(11-18)25-21(28)15-6-9-20(24-13-15)14-4-3-5-16(23)10-14/h3-6,9-10,13,17-19H,7-8,11-12H2,1-2H3,(H,25,28)
InChIKeyXDSKIVDJAZIUOJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.29
Rot. Bonds3

About 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide

3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 67070085) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID67070085
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCN(C)C(=O)N1C2CCC1CC(NC(=O)c1ccc(-c3cccc(F)c3)nc1)C2
InChIInChI=1S/C22H25FN4O2/c1-26(2)22(29)27-18-7-8-19(27)12-17(11-18)25-21(28)15-6-9-20(24-13-15)14-4-3-5-16(23)10-14/h3-6,9-10,13,17-19H,7-8,11-12H2,1-2H3,(H,25,28)
InChIKeyXDSKIVDJAZIUOJ-UHFFFAOYSA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
CID 87257900
tert-butyl N-[(1S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 143913711
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59401403
6-(3-fluorophenyl)-N-[1-[1-(1-methylcyclopropyl)propan-2-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267505
cis-(1S,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 91076750
6-(3-fluorophenyl)-N-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
2-[(1S,5R)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
CID 58550074
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 67070330
6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 68507339

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 67070085) is 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide is CN(C)C(=O)N1C2CCC1CC(NC(=O)c1ccc(-c3cccc(F)c3)nc1)C2.
What is the InChIKey of 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is XDSKIVDJAZIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-26(2)22(29)27-18-7-8-19(27)12-17(11-18)25-21(28)15-6-9-20(24-13-15)14-4-3-5-16(23)10-14/h3-6,9-10,13,17-19H,7-8,11-12H2,1-2H3,(H,25,28).
What are the key properties of 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 67070085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).