2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

C24H20BrN5O2 — CID 177190661

IUPAC2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2Br)c(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H20BrN5O2/c1-16-8-9-20(28-23(31)15-32-22-7-3-2-6-18(22)25)21(13-16)30-24-27-12-10-19(29-24)17-5-4-11-26-14-17/h2-14H,15H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyDAULXMMPRIKPCB-UHFFFAOYSA-N
MW490.36 g/mol
LogP5.37
Rot. Bonds7

About 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 177190661) has the molecular formula C24H20BrN5O2 and a molecular weight of 490.36 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID177190661
Molecular FormulaC24H20BrN5O2
Molecular Weight490.36 g/mol
Exact Mass489.08
IUPAC Name2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2Br)c(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H20BrN5O2/c1-16-8-9-20(28-23(31)15-32-22-7-3-2-6-18(22)25)21(13-16)30-24-27-12-10-19(29-24)17-5-4-11-26-14-17/h2-14H,15H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyDAULXMMPRIKPCB-UHFFFAOYSA-N
XLogP5.37
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.36
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-nitrophenoxy)acetamide
CID 177190723
4-fluoro-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190729
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(2-nitrophenoxy)acetamide
CID 177190735
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719
N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110862951
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190662
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine
CID 154584905
4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 69019170
2-methyl-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butan-1-one
CID 90891668
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 177190661) is 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is Cc1ccc(NC(=O)COc2ccccc2Br)c(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is DAULXMMPRIKPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN5O2/c1-16-8-9-20(28-23(31)15-32-22-7-3-2-6-18(22)25)21(13-16)30-24-27-12-10-19(29-24)17-5-4-11-26-14-17/h2-14H,15H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 490.36 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 177190661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).