4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide

C26H24N4O2 — CID 170229291

IUPAC4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESCCc1nccc(Nc2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)c1C
InChIInChI=1S/C26H24N4O2/c1-3-24-18(2)25(13-16-28-24)29-20-9-7-19(8-10-20)26(31)30-21-5-4-6-23(17-21)32-22-11-14-27-15-12-22/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyQFHJZUYAAAHKNA-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.14
Rot. Bonds7

About 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide

4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide (PubChem CID 170229291) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
PubChem CID170229291
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESCCc1nccc(Nc2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)c1C
InChIInChI=1S/C26H24N4O2/c1-3-24-18(2)25(13-16-28-24)29-20-9-7-19(8-10-20)26(31)30-21-5-4-6-23(17-21)32-22-11-14-27-15-12-22/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyQFHJZUYAAAHKNA-UHFFFAOYSA-N
XLogP6.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043679
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-methyl-4-[4-[[3-(pyridin-4-ylamino)phenyl]carbamoyl]anilino]-2-pyridinyl]carbamate
CID 166833028
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
CID 157044209
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The IUPAC name of 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide (CID 170229291) is 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The canonical SMILES for 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide is CCc1nccc(Nc2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)c1C.
What is the InChIKey of 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The InChIKey is QFHJZUYAAAHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-3-24-18(2)25(13-16-28-24)29-20-9-7-19(8-10-20)26(31)30-21-5-4-6-23(17-21)32-22-11-14-27-15-12-22/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide has a molecular weight of 424.50 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-3-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 170229291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).