N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide

C23H28N4O5 — CID 53027798

IUPACN-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)c2c(C(=O)Nc3ccc(OCC)cc3)cc(=O)n(CCC)c2n(C)c1=O
InChIInChI=1S/C23H28N4O5/c1-5-12-26-18(28)14-17(20(29)24-15-8-10-16(11-9-15)32-7-3)19-21(26)25(4)23(31)27(13-6-2)22(19)30/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,29)
InChIKeyJEPDDJLZZGEIMD-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.33
Rot. Bonds8

About N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide

N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53027798) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53027798
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)c2c(C(=O)Nc3ccc(OCC)cc3)cc(=O)n(CCC)c2n(C)c1=O
InChIInChI=1S/C23H28N4O5/c1-5-12-26-18(28)14-17(20(29)24-15-8-10-16(11-9-15)32-7-3)19-21(26)25(4)23(31)27(13-6-2)22(19)30/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,29)
InChIKeyJEPDDJLZZGEIMD-UHFFFAOYSA-N
XLogP2.33
TPSA104.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 53027798) is N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)c2c(C(=O)Nc3ccc(OCC)cc3)cc(=O)n(CCC)c2n(C)c1=O.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JEPDDJLZZGEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-5-12-26-18(28)14-17(20(29)24-15-8-10-16(11-9-15)32-7-3)19-21(26)25(4)23(31)27(13-6-2)22(19)30/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,29).
What are the key properties of N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53027798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).