N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide

C23H20ClN5O2 — CID 156891918

IUPACN-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide
SMILESCC(=O)NCC(C)n1cnc2c(-c3cccnc3)nc(-c3ccc(Cl)cc3)cc2c1=O
InChIInChI=1S/C23H20ClN5O2/c1-14(11-26-15(2)30)29-13-27-22-19(23(29)31)10-20(16-5-7-18(24)8-6-16)28-21(22)17-4-3-9-25-12-17/h3-10,12-14H,11H2,1-2H3,(H,26,30)
InChIKeySVSWBNALCUEHQB-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.87
Rot. Bonds5

About N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide

N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide (PubChem CID 156891918) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide
PubChem CID156891918
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC NameN-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide
SMILESCC(=O)NCC(C)n1cnc2c(-c3cccnc3)nc(-c3ccc(Cl)cc3)cc2c1=O
InChIInChI=1S/C23H20ClN5O2/c1-14(11-26-15(2)30)29-13-27-22-19(23(29)31)10-20(16-5-7-18(24)8-6-16)28-21(22)17-4-3-9-25-12-17/h3-10,12-14H,11H2,1-2H3,(H,26,30)
InChIKeySVSWBNALCUEHQB-UHFFFAOYSA-N
XLogP3.87
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide?
The IUPAC name of N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide (CID 156891918) is N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide.
What is the SMILES notation for N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide?
The canonical SMILES for N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide is CC(=O)NCC(C)n1cnc2c(-c3cccnc3)nc(-c3ccc(Cl)cc3)cc2c1=O.
What is the InChIKey of N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide?
The InChIKey is SVSWBNALCUEHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-14(11-26-15(2)30)29-13-27-22-19(23(29)31)10-20(16-5-7-18(24)8-6-16)28-21(22)17-4-3-9-25-12-17/h3-10,12-14H,11H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide?
N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide is sourced from PubChem (CID 156891918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).