N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide

C22H17Cl2N5O2 — CID 10095463

IUPACN-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
InChIInChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyXCIWPOBMQAYXJN-UHFFFAOYSA-N
MW454.32 g/mol
LogP5.00
Rot. Bonds4

About N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 10095463) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID10095463
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC NameN-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
InChIInChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyXCIWPOBMQAYXJN-UHFFFAOYSA-N
XLogP5.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.32
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide (CID 10095463) is N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1.
What is the InChIKey of N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is XCIWPOBMQAYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 454.32 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 10095463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).