2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide

C23H18Cl2N4O3 — CID 20931192

IUPAC2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide
SMILESCc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N4O3/c1-13-10-16(29-14(2)27-22-17(23(29)31)4-3-9-26-22)6-7-19(13)28-21(30)12-32-20-8-5-15(24)11-18(20)25/h3-11H,12H2,1-2H3,(H,28,30)
InChIKeyPUKYCENVVWUEBX-UHFFFAOYSA-N
MW469.33 g/mol
LogP4.72
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide (PubChem CID 20931192) has the molecular formula C23H18Cl2N4O3 and a molecular weight of 469.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide
PubChem CID20931192
Molecular FormulaC23H18Cl2N4O3
Molecular Weight469.33 g/mol
Exact Mass468.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide
SMILESCc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N4O3/c1-13-10-16(29-14(2)27-22-17(23(29)31)4-3-9-26-22)6-7-19(13)28-21(30)12-32-20-8-5-15(24)11-18(20)25/h3-11H,12H2,1-2H3,(H,28,30)
InChIKeyPUKYCENVVWUEBX-UHFFFAOYSA-N
XLogP4.72
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide (CID 20931192) is 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide is Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
The InChIKey is PUKYCENVVWUEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3/c1-13-10-16(29-14(2)27-22-17(23(29)31)4-3-9-26-22)6-7-19(13)28-21(30)12-32-20-8-5-15(24)11-18(20)25/h3-11H,12H2,1-2H3,(H,28,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide has a molecular weight of 469.33 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide is sourced from PubChem (CID 20931192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).