4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide

C26H19FN6O — CID 157044112

IUPAC4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccncc2)nc1)c1ccc(Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C26H19FN6O/c27-18-3-7-23-22(15-18)24(11-14-29-23)31-19-4-1-17(2-5-19)26(34)33-21-6-8-25(30-16-21)32-20-9-12-28-13-10-20/h1-16H,(H,29,31)(H,33,34)(H,28,30,32)
InChIKeyDYSWTNSSGFOBLC-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.90
Rot. Bonds6

About 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide

4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide (PubChem CID 157044112) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
PubChem CID157044112
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccncc2)nc1)c1ccc(Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C26H19FN6O/c27-18-3-7-23-22(15-18)24(11-14-29-23)31-19-4-1-17(2-5-19)26(34)33-21-6-8-25(30-16-21)32-20-9-12-28-13-10-20/h1-16H,(H,29,31)(H,33,34)(H,28,30,32)
InChIKeyDYSWTNSSGFOBLC-UHFFFAOYSA-N
XLogP5.90
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide with MolForge

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Related Compounds

4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
N-[3-(1-bicyclo[1.1.1]pentanylamino)phenyl]-4-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 157043545
methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
CID 157043861
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide (CID 157044112) is 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccncc2)nc1)c1ccc(Nc2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide?
The InChIKey is DYSWTNSSGFOBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c27-18-3-7-23-22(15-18)24(11-14-29-23)31-19-4-1-17(2-5-19)26(34)33-21-6-8-25(30-16-21)32-20-9-12-28-13-10-20/h1-16H,(H,29,31)(H,33,34)(H,28,30,32).
What are the key properties of 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide?
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide has a molecular weight of 450.48 g/mol, XLogP of 5.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 157044112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).