(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone

C19H21FN2O3 — CID 175658334

IUPAC(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCOCCCCOc2ccc(F)cc2C1
InChIInChI=1S/C19H21FN2O3/c20-17-5-6-18-16(12-17)14-22(8-11-24-9-1-2-10-25-18)19(23)15-4-3-7-21-13-15/h3-7,12-13H,1-2,8-11,14H2
InChIKeyZWAYGJIXHIGBQG-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.05
Rot. Bonds1

About (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone

(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone (PubChem CID 175658334) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone
PubChem CID175658334
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCOCCCCOc2ccc(F)cc2C1
InChIInChI=1S/C19H21FN2O3/c20-17-5-6-18-16(12-17)14-22(8-11-24-9-1-2-10-25-18)19(23)15-4-3-7-21-13-15/h3-7,12-13H,1-2,8-11,14H2
InChIKeyZWAYGJIXHIGBQG-UHFFFAOYSA-N
XLogP3.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone
CID 175658167
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110803001
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808457
(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone
CID 71476571
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(3-fluorophenyl)methanone
CID 110870583
[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid
CID 135156588
2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 121215418
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
CID 90091575
1,3-benzodioxol-5-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808446
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone?
The IUPAC name of (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone (CID 175658334) is (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCOCCCCOc2ccc(F)cc2C1.
What is the InChIKey of (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone?
The InChIKey is ZWAYGJIXHIGBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-17-5-6-18-16(12-17)14-22(8-11-24-9-1-2-10-25-18)19(23)15-4-3-7-21-13-15/h3-7,12-13H,1-2,8-11,14H2.
What are the key properties of (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone?
(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone has a molecular weight of 344.39 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 175658334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).