(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C19H19FN4O3 — CID 118793687

IUPAC(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESO=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1cccnc1Oc1ccccc1F)C2
InChIInChI=1S/C19H19FN4O3/c20-14-4-1-2-6-16(14)27-18-15(5-3-9-21-18)23-19(26)24-10-12-7-8-13(11-24)22-17(12)25/h1-6,9,12-13H,7-8,10-11H2,(H,22,25)(H,23,26)/t12-,13+/m1/s1
InChIKeyKFZAEWORDCWZRD-OLZOCXBDSA-N
MW370.38 g/mol
LogP2.76
Rot. Bonds3

About (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 118793687) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID118793687
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESO=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1cccnc1Oc1ccccc1F)C2
InChIInChI=1S/C19H19FN4O3/c20-14-4-1-2-6-16(14)27-18-15(5-3-9-21-18)23-19(26)24-10-12-7-8-13(11-24)22-17(12)25/h1-6,9,12-13H,7-8,10-11H2,(H,22,25)(H,23,26)/t12-,13+/m1/s1
InChIKeyKFZAEWORDCWZRD-OLZOCXBDSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide with MolForge

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Related Compounds

(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 97282303
(1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 74251109
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide
CID 155912342
(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155913503
N-[2-(2-fluorophenoxy)-3-pyridinyl]-1H-indole-5-carboxamide
CID 155909547
N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 155910918
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 136582536

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 118793687) is (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is O=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1cccnc1Oc1ccccc1F)C2.
What is the InChIKey of (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is KFZAEWORDCWZRD-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-14-4-1-2-6-16(14)27-18-15(5-3-9-21-18)23-19(26)24-10-12-7-8-13(11-24)22-17(12)25/h1-6,9,12-13H,7-8,10-11H2,(H,22,25)(H,23,26)/t12-,13+/m1/s1.
What are the key properties of (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 118793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).