5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide

C25H18FN5O2 — CID 177046978

IUPAC5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide
SMILESN#Cc1ccc(-c2cc(F)c(C(=O)Nc3ccc4cccnc4n3)cc2OC2CNC2)cc1
InChIInChI=1S/C25H18FN5O2/c26-21-10-19(16-5-3-15(12-27)4-6-16)22(33-18-13-28-14-18)11-20(21)25(32)31-23-8-7-17-2-1-9-29-24(17)30-23/h1-11,18,28H,13-14H2,(H,29,30,31,32)
InChIKeyMRZVMKAQDAVMRH-UHFFFAOYSA-N
MW439.45 g/mol
LogP3.91
Rot. Bonds5

About 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide

5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide (PubChem CID 177046978) has the molecular formula C25H18FN5O2 and a molecular weight of 439.45 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide
PubChem CID177046978
Molecular FormulaC25H18FN5O2
Molecular Weight439.45 g/mol
Exact Mass439.14
IUPAC Name5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide
SMILESN#Cc1ccc(-c2cc(F)c(C(=O)Nc3ccc4cccnc4n3)cc2OC2CNC2)cc1
InChIInChI=1S/C25H18FN5O2/c26-21-10-19(16-5-3-15(12-27)4-6-16)22(33-18-13-28-14-18)11-20(21)25(32)31-23-8-7-17-2-1-9-29-24(17)30-23/h1-11,18,28H,13-14H2,(H,29,30,31,32)
InChIKeyMRZVMKAQDAVMRH-UHFFFAOYSA-N
XLogP3.91
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azetidin-3-yloxy)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(1,8-naphthyridin-2-yl)benzamide
CID 177047003
4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide
CID 177047332
6-(4-chlorophenyl)-N-(1,8-naphthyridin-2-yl)pyridine-3-carboxamide
CID 177047263
N-(4-cyano-2-fluorophenyl)-8-hydroxyquinoline-7-carboxamide
CID 155523733
6-(4-cyclopropylphenyl)-N-(1,8-naphthyridin-2-yl)pyridine-3-carboxamide
CID 177047597
6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine
CID 177047363
5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide
CID 177046812
4-(azetidin-3-ylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfanylbenzamide;4-[(1S)-1-phenylethyl]benzonitrile
CID 144850254
3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide
CID 177047187
4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
CID 11484943
N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 71974502
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide?
The IUPAC name of 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide (CID 177046978) is 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide.
What is the SMILES notation for 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide?
The canonical SMILES for 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide is N#Cc1ccc(-c2cc(F)c(C(=O)Nc3ccc4cccnc4n3)cc2OC2CNC2)cc1.
What is the InChIKey of 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide?
The InChIKey is MRZVMKAQDAVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2/c26-21-10-19(16-5-3-15(12-27)4-6-16)22(33-18-13-28-14-18)11-20(21)25(32)31-23-8-7-17-2-1-9-29-24(17)30-23/h1-11,18,28H,13-14H2,(H,29,30,31,32).
What are the key properties of 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide?
5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide has a molecular weight of 439.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-4-(4-cyanophenyl)-2-fluoro-N-(1,8-naphthyridin-2-yl)benzamide is sourced from PubChem (CID 177046978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).