3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide

C26H18F3N5O2 — CID 177047003

IUPAC3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide
SMILESN#Cc1ccc(-c2ccc(C(=O)Nc3ccc4cccnc4n3)cc2OC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C26H18F3N5O2/c27-26(28,29)21-10-16(3-4-18(21)12-30)20-7-5-17(11-22(20)36-19-13-31-14-19)25(35)34-23-8-6-15-2-1-9-32-24(15)33-23/h1-11,19,31H,13-14H2,(H,32,33,34,35)
InChIKeyHTDCWRQSWQGJHM-UHFFFAOYSA-N
MW489.46 g/mol
LogP4.79
Rot. Bonds5

About 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide

3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide (PubChem CID 177047003) has the molecular formula C26H18F3N5O2 and a molecular weight of 489.46 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide
PubChem CID177047003
Molecular FormulaC26H18F3N5O2
Molecular Weight489.46 g/mol
Exact Mass489.14
IUPAC Name3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide
SMILESN#Cc1ccc(-c2ccc(C(=O)Nc3ccc4cccnc4n3)cc2OC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C26H18F3N5O2/c27-26(28,29)21-10-16(3-4-18(21)12-30)20-7-5-17(11-22(20)36-19-13-31-14-19)25(35)34-23-8-6-15-2-1-9-32-24(15)33-23/h1-11,19,31H,13-14H2,(H,32,33,34,35)
InChIKeyHTDCWRQSWQGJHM-UHFFFAOYSA-N
XLogP4.79
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide
CID 177046978
4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide
CID 177047332
2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67343477
6-(4-cyclopropylphenyl)-N-(1,8-naphthyridin-2-yl)pyridine-3-carboxamide
CID 177047597
6-(4-chlorophenyl)-N-(1,8-naphthyridin-2-yl)pyridine-3-carboxamide
CID 177047263
4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide
CID 177047470
2-(azetidin-3-yloxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 166758461
N-[2-(azepan-3-yl)-3-pyridinyl]-4-methyl-3-[4-(trifluoromethyl)phenyl]benzamide
CID 141260138
3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide
CID 24864105
2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide
CID 116678216
N-(1,8-naphthyridin-2-yl)-5-phenylpyrimidine-2-carboxamide
CID 177046877
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide?
The IUPAC name of 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide (CID 177047003) is 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide.
What is the SMILES notation for 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide?
The canonical SMILES for 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide is N#Cc1ccc(-c2ccc(C(=O)Nc3ccc4cccnc4n3)cc2OC2CNC2)cc1C(F)(F)F.
What is the InChIKey of 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide?
The InChIKey is HTDCWRQSWQGJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O2/c27-26(28,29)21-10-16(3-4-18(21)12-30)20-7-5-17(11-22(20)36-19-13-31-14-19)25(35)34-23-8-6-15-2-1-9-32-24(15)33-23/h1-11,19,31H,13-14H2,(H,32,33,34,35).
What are the key properties of 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide?
3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide has a molecular weight of 489.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide is sourced from PubChem (CID 177047003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).