4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide

C25H23FN2O4 — CID 166783397

IUPAC4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide
SMILESCc1cc([C@H](Oc2c(F)cc3c(c2C)OCCC3=O)c2ccc(C(N)=O)cc2)cc(C)n1
InChIInChI=1S/C25H23FN2O4/c1-13-10-18(11-14(2)28-13)24(16-4-6-17(7-5-16)25(27)30)32-23-15(3)22-19(12-20(23)26)21(29)8-9-31-22/h4-7,10-12,24H,8-9H2,1-3H3,(H2,27,30)/t24-/m1/s1
InChIKeyOJRZTSKZXQFIAQ-XMMPIXPASA-N
MW434.47 g/mol
LogP4.38
Rot. Bonds5

About 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide

4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide (PubChem CID 166783397) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide.

Molecular Properties

Compound Name4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide
PubChem CID166783397
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide
SMILESCc1cc([C@H](Oc2c(F)cc3c(c2C)OCCC3=O)c2ccc(C(N)=O)cc2)cc(C)n1
InChIInChI=1S/C25H23FN2O4/c1-13-10-18(11-14(2)28-13)24(16-4-6-17(7-5-16)25(27)30)32-23-15(3)22-19(12-20(23)26)21(29)8-9-31-22/h4-7,10-12,24H,8-9H2,1-3H3,(H2,27,30)/t24-/m1/s1
InChIKeyOJRZTSKZXQFIAQ-XMMPIXPASA-N
XLogP4.38
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide with MolForge

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Related Compounds

7-Methoxy-2-phenyl-3-pyridin-4-ylmethylene-chroman-4-one
CID 44266320
(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one
CID 66573597
(3Z)-7-methoxy-2-phenyl-3-(pyridin-4-ylmethylidene)chromen-4-one
CID 44266331
2-[4-(6-Fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one
CID 90681396
US12516038, Example 95a
CID 156871010
US12516038, Example 97a
CID 156871427
US12516038, Example 103b
CID 156871430
US12516038, Example 94b
CID 156871455
US12516038, Example 95b
CID 158006395
US12516038, Example 96b
CID 166783444
US12516038, Example 97b
CID 166783453
US12516038, Example 103a
CID 166783457

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide?
The IUPAC name of 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide (CID 166783397) is 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide.
What is the SMILES notation for 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide?
The canonical SMILES for 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide is Cc1cc([C@H](Oc2c(F)cc3c(c2C)OCCC3=O)c2ccc(C(N)=O)cc2)cc(C)n1.
What is the InChIKey of 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide?
The InChIKey is OJRZTSKZXQFIAQ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-13-10-18(11-14(2)28-13)24(16-4-6-17(7-5-16)25(27)30)32-23-15(3)22-19(12-20(23)26)21(29)8-9-31-22/h4-7,10-12,24H,8-9H2,1-3H3,(H2,27,30)/t24-/m1/s1.
What are the key properties of 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide?
4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide has a molecular weight of 434.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide is sourced from PubChem (CID 166783397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).