N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide

C18H18FN3O2 — CID 166270764

IUPACN-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(N[C@]12CC[C@H]1CNC2)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C18H18FN3O2/c19-14-2-4-15(5-3-14)24-16-6-1-12(9-21-16)17(23)22-18-8-7-13(18)10-20-11-18/h1-6,9,13,20H,7-8,10-11H2,(H,22,23)/t13-,18-/m0/s1
InChIKeyLNYFHJYTCLIRDI-UGSOOPFHSA-N
MW327.36 g/mol
LogP2.49
Rot. Bonds4

About N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide

N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide (PubChem CID 166270764) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide
PubChem CID166270764
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(N[C@]12CC[C@H]1CNC2)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C18H18FN3O2/c19-14-2-4-15(5-3-14)24-16-6-1-12(9-21-16)17(23)22-18-8-7-13(18)10-20-11-18/h1-6,9,13,20H,7-8,10-11H2,(H,22,23)/t13-,18-/m0/s1
InChIKeyLNYFHJYTCLIRDI-UGSOOPFHSA-N
XLogP2.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
CID 24770965
6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
CID 87017609
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119849089
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 58073146
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
N-[(1-hydroxycyclopentyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111333099

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide (CID 166270764) is N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide is O=C(N[C@]12CC[C@H]1CNC2)c1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide?
The InChIKey is LNYFHJYTCLIRDI-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-2-4-15(5-3-14)24-16-6-1-12(9-21-16)17(23)22-18-8-7-13(18)10-20-11-18/h1-6,9,13,20H,7-8,10-11H2,(H,22,23)/t13-,18-/m0/s1.
What are the key properties of N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide?
N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 166270764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).