1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide

C18H21N7O4 — CID 39654568

IUPAC1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NNc3nccc(OC)n3)cc(C(C)C)nc21
InChIInChI=1S/C18H21N7O4/c1-5-25-14-13(16(27)22-18(25)28)10(8-11(20-14)9(2)3)15(26)23-24-17-19-7-6-12(21-17)29-4/h6-9H,5H2,1-4H3,(H,23,26)(H,19,21,24)(H,22,27,28)
InChIKeyUODXSBDJZIUUIW-UHFFFAOYSA-N
MW399.41 g/mol
LogP0.78
Rot. Bonds6

About 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide

1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide (PubChem CID 39654568) has the molecular formula C18H21N7O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide
PubChem CID39654568
Molecular FormulaC18H21N7O4
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC Name1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NNc3nccc(OC)n3)cc(C(C)C)nc21
InChIInChI=1S/C18H21N7O4/c1-5-25-14-13(16(27)22-18(25)28)10(8-11(20-14)9(2)3)15(26)23-24-17-19-7-6-12(21-17)29-4/h6-9H,5H2,1-4H3,(H,23,26)(H,19,21,24)(H,22,27,28)
InChIKeyUODXSBDJZIUUIW-UHFFFAOYSA-N
XLogP0.78
TPSA143.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide?
The IUPAC name of 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide (CID 39654568) is 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NNc3nccc(OC)n3)cc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide?
The InChIKey is UODXSBDJZIUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O4/c1-5-25-14-13(16(27)22-18(25)28)10(8-11(20-14)9(2)3)15(26)23-24-17-19-7-6-12(21-17)29-4/h6-9H,5H2,1-4H3,(H,23,26)(H,19,21,24)(H,22,27,28).
What are the key properties of 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide?
1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide has a molecular weight of 399.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide is sourced from PubChem (CID 39654568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).