N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C24H22N4O5 — CID 24673188

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C24H22N4O5/c1-4-32-16-9-11-17(12-10-16)33-20-8-6-5-7-19(20)26-22(29)15-13-18-21(25-14-15)27(2)24(31)28(3)23(18)30/h5-14H,4H2,1-3H3,(H,26,29)
InChIKeyKCZVPGAYYPFXAS-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24673188) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24673188
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C24H22N4O5/c1-4-32-16-9-11-17(12-10-16)33-20-8-6-5-7-19(20)26-22(29)15-13-18-21(25-14-15)27(2)24(31)28(3)23(18)30/h5-14H,4H2,1-3H3,(H,26,29)
InChIKeyKCZVPGAYYPFXAS-UHFFFAOYSA-N
XLogP3.08
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 134008963
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 60563554
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46479986
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86940693
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 24673188) is N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KCZVPGAYYPFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-4-32-16-9-11-17(12-10-16)33-20-8-6-5-7-19(20)26-22(29)15-13-18-21(25-14-15)27(2)24(31)28(3)23(18)30/h5-14H,4H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24673188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).