3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide

C28H20N6O — CID 166832939

IUPAC3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
SMILESN#Cc1cccc2nccc(Nc3cccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c3)c12
InChIInChI=1S/C28H20N6O/c29-18-20-4-2-6-25-27(20)26(13-16-31-25)33-24-5-1-3-19(17-24)28(35)34-22-9-7-21(8-10-22)32-23-11-14-30-15-12-23/h1-17H,(H,30,32)(H,31,33)(H,34,35)
InChIKeyIUNGIFUJIHQFMT-UHFFFAOYSA-N
MW456.51 g/mol
LogP6.24
Rot. Bonds6

About 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide

3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide (PubChem CID 166832939) has the molecular formula C28H20N6O and a molecular weight of 456.51 g/mol. Its IUPAC name is 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
PubChem CID166832939
Molecular FormulaC28H20N6O
Molecular Weight456.51 g/mol
Exact Mass456.17
IUPAC Name3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
SMILESN#Cc1cccc2nccc(Nc3cccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c3)c12
InChIInChI=1S/C28H20N6O/c29-18-20-4-2-6-25-27(20)26(13-16-31-25)33-24-5-1-3-19(17-24)28(35)34-22-9-7-21(8-10-22)32-23-11-14-30-15-12-23/h1-17H,(H,30,32)(H,31,33)(H,34,35)
InChIKeyIUNGIFUJIHQFMT-UHFFFAOYSA-N
XLogP6.24
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide
CID 24858115
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
N-[3-(pyridin-4-ylamino)phenyl]-3-[[6-(3,3,3-trifluoroprop-1-ynyl)quinolin-4-yl]amino]benzamide
CID 157042964
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide?
The IUPAC name of 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide (CID 166832939) is 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide?
The canonical SMILES for 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide is N#Cc1cccc2nccc(Nc3cccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c3)c12.
What is the InChIKey of 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide?
The InChIKey is IUNGIFUJIHQFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6O/c29-18-20-4-2-6-25-27(20)26(13-16-31-25)33-24-5-1-3-19(17-24)28(35)34-22-9-7-21(8-10-22)32-23-11-14-30-15-12-23/h1-17H,(H,30,32)(H,31,33)(H,34,35).
What are the key properties of 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide?
3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide has a molecular weight of 456.51 g/mol, XLogP of 6.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 166832939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).