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

C16H12Cl2N4O2 — CID 5327865

IUPACN-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C16H12Cl2N4O2/c1-8(23)20-16-19-7-9-6-10(15(24)22(2)14(9)21-16)13-11(17)4-3-5-12(13)18/h3-7H,1-2H3,(H,19,20,21,23)
InChIKeySRVAKQWROMBZFN-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.26
Rot. Bonds2

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

N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 5327865) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide
PubChem CID5327865
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC NameN-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C16H12Cl2N4O2/c1-8(23)20-16-19-7-9-6-10(15(24)22(2)14(9)21-16)13-11(17)4-3-5-12(13)18/h3-7H,1-2H3,(H,19,20,21,23)
InChIKeySRVAKQWROMBZFN-UHFFFAOYSA-N
XLogP3.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide (CID 5327865) is N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide?
The InChIKey is SRVAKQWROMBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c1-8(23)20-16-19-7-9-6-10(15(24)22(2)14(9)21-16)13-11(17)4-3-5-12(13)18/h3-7H,1-2H3,(H,19,20,21,23).
What are the key properties of N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide?
N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 363.20 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 5327865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).