N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide

C23H22ClFN4O2 — CID 52906213

IUPACN-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1
InChIInChI=1S/C23H22ClFN4O2/c1-2-28-12-11-20-19(13-28)23(31)29(22(27-20)15-3-7-17(25)8-4-15)14-21(30)26-18-9-5-16(24)6-10-18/h3-10H,2,11-14H2,1H3,(H,26,30)
InChIKeyASIPACPKXPQTJJ-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.72
Rot. Bonds5

About N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide

N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (PubChem CID 52906213) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
PubChem CID52906213
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC NameN-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1
InChIInChI=1S/C23H22ClFN4O2/c1-2-28-12-11-20-19(13-28)23(31)29(22(27-20)15-3-7-17(25)8-4-15)14-21(30)26-18-9-5-16(24)6-10-18/h3-10H,2,11-14H2,1H3,(H,26,30)
InChIKeyASIPACPKXPQTJJ-UHFFFAOYSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (CID 52906213) is N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1.
What is the InChIKey of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is ASIPACPKXPQTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-2-28-12-11-20-19(13-28)23(31)29(22(27-20)15-3-7-17(25)8-4-15)14-21(30)26-18-9-5-16(24)6-10-18/h3-10H,2,11-14H2,1H3,(H,26,30).
What are the key properties of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 440.91 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 52906213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).