N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C24H22N4O5 — CID 46552519

IUPACN-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)cnc21
InChIInChI=1S/C24H22N4O5/c1-3-12-28-21-18(23(30)27-24(28)31)13-15(14-25-21)22(29)26-16-8-10-17(11-9-16)33-20-7-5-4-6-19(20)32-2/h4-11,13-14H,3,12H2,1-2H3,(H,26,29)(H,27,30,31)
InChIKeyVYRUETNWCWMCAZ-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.55
Rot. Bonds7

About N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46552519) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID46552519
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)cnc21
InChIInChI=1S/C24H22N4O5/c1-3-12-28-21-18(23(30)27-24(28)31)13-15(14-25-21)22(29)26-16-8-10-17(11-9-16)33-20-7-5-4-6-19(20)32-2/h4-11,13-14H,3,12H2,1-2H3,(H,26,29)(H,27,30,31)
InChIKeyVYRUETNWCWMCAZ-UHFFFAOYSA-N
XLogP3.55
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 46552519) is N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)cnc21.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VYRUETNWCWMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-3-12-28-21-18(23(30)27-24(28)31)13-15(14-25-21)22(29)26-16-8-10-17(11-9-16)33-20-7-5-4-6-19(20)32-2/h4-11,13-14H,3,12H2,1-2H3,(H,26,29)(H,27,30,31).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46552519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).