4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide

C24H19FN4O2 — CID 68852389

IUPAC4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide
SMILESCc1ccc(Oc2ccnc(Nc3ccc(C(N)=O)cc3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H19FN4O2/c1-15-2-11-21(23(28-15)16-3-7-18(25)8-4-16)31-20-12-13-27-22(14-20)29-19-9-5-17(6-10-19)24(26)30/h2-14H,1H3,(H2,26,30)(H,27,29)
InChIKeyKHBCEQOUMRZJCD-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.23
Rot. Bonds6

About 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide

4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide (PubChem CID 68852389) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide
PubChem CID68852389
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide
SMILESCc1ccc(Oc2ccnc(Nc3ccc(C(N)=O)cc3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H19FN4O2/c1-15-2-11-21(23(28-15)16-3-7-18(25)8-4-16)31-20-12-13-27-22(14-20)29-19-9-5-17(6-10-19)24(26)30/h2-14H,1H3,(H2,26,30)(H,27,29)
InChIKeyKHBCEQOUMRZJCD-UHFFFAOYSA-N
XLogP5.23
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
CID 169196564
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 46851683
4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide
CID 68946406
2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
CID 169196552
4-[(2-methyl-4-pyridinyl)amino]benzamide
CID 90134463
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
CID 68941098
N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
CID 169196487
3-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]-3-oxopropanamide
CID 68849766
N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
CID 68849847
3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 68939373
bicyclo[2.2.0]hexa-1,3,5-triene;4-[[4-[2-(carbamoylamino)naphthalen-1-yl]oxy-2-pyridinyl]amino]benzoic acid
CID 121254644

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide?
The IUPAC name of 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide (CID 68852389) is 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide?
The canonical SMILES for 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide is Cc1ccc(Oc2ccnc(Nc3ccc(C(N)=O)cc3)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide?
The InChIKey is KHBCEQOUMRZJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-15-2-11-21(23(28-15)16-3-7-18(25)8-4-16)31-20-12-13-27-22(14-20)29-19-9-5-17(6-10-19)24(26)30/h2-14H,1H3,(H2,26,30)(H,27,29).
What are the key properties of 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide?
4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide has a molecular weight of 414.44 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 68852389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).