7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C24H28N4O4 — CID 55595228

IUPAC7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)C(C)c3ccccc3OC)cc(C3CC3)nc21
InChIInChI=1S/C24H28N4O4/c1-5-12-28-21-20(22(29)26-24(28)31)17(13-18(25-21)15-10-11-15)23(30)27(3)14(2)16-8-6-7-9-19(16)32-4/h6-9,13-15H,5,10-12H2,1-4H3,(H,26,29,31)
InChIKeySXEXWYQVNKHOOX-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.21
Rot. Bonds7

About 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55595228) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55595228
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)C(C)c3ccccc3OC)cc(C3CC3)nc21
InChIInChI=1S/C24H28N4O4/c1-5-12-28-21-20(22(29)26-24(28)31)17(13-18(25-21)15-10-11-15)23(30)27(3)14(2)16-8-6-7-9-19(16)32-4/h6-9,13-15H,5,10-12H2,1-4H3,(H,26,29,31)
InChIKeySXEXWYQVNKHOOX-UHFFFAOYSA-N
XLogP3.21
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55595228) is 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)C(C)c3ccccc3OC)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SXEXWYQVNKHOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-5-12-28-21-20(22(29)26-24(28)31)17(13-18(25-21)15-10-11-15)23(30)27(3)14(2)16-8-6-7-9-19(16)32-4/h6-9,13-15H,5,10-12H2,1-4H3,(H,26,29,31).
What are the key properties of 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55595228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).