4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide

C22H18FN5O2 — CID 133319742

IUPAC4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide
SMILESCc1noc(-c2cccnc2NCc2cccc(NC(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C22H18FN5O2/c1-14-26-22(30-28-14)19-6-3-11-24-20(19)25-13-15-4-2-5-18(12-15)27-21(29)16-7-9-17(23)10-8-16/h2-12H,13H2,1H3,(H,24,25)(H,27,29)
InChIKeyVZBCIDLPUJJXBJ-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.44
Rot. Bonds6

About 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide

4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide (PubChem CID 133319742) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide
PubChem CID133319742
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide
SMILESCc1noc(-c2cccnc2NCc2cccc(NC(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C22H18FN5O2/c1-14-26-22(30-28-14)19-6-3-11-24-20(19)25-13-15-4-2-5-18(12-15)27-21(29)16-7-9-17(23)10-8-16/h2-12H,13H2,1H3,(H,24,25)(H,27,29)
InChIKeyVZBCIDLPUJJXBJ-UHFFFAOYSA-N
XLogP4.44
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide 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

4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
CID 133321671
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 133317946
4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide
CID 133371592
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 155941527
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
N-(3-fluorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178475
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide
CID 133317483
N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56563652
3-(2-chloro-6-fluorophenyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60535659
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678194
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 133317350

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide (CID 133319742) is 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide is Cc1noc(-c2cccnc2NCc2cccc(NC(=O)c3ccc(F)cc3)c2)n1.
What is the InChIKey of 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide?
The InChIKey is VZBCIDLPUJJXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-14-26-22(30-28-14)19-6-3-11-24-20(19)25-13-15-4-2-5-18(12-15)27-21(29)16-7-9-17(23)10-8-16/h2-12H,13H2,1H3,(H,24,25)(H,27,29).
What are the key properties of 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide?
4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide has a molecular weight of 403.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 133319742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).