1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C24H34N4O4 — CID 139009288

IUPAC1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCOC4(CCCC4)C3)cc(C(C)C)nc21
InChIInChI=1S/C24H34N4O4/c1-14(2)13-28-20-19(22(30)27-23(28)31)17(11-18(26-20)15(3)4)21(29)25-16-7-10-32-24(12-16)8-5-6-9-24/h11,14-16H,5-10,12-13H2,1-4H3,(H,25,29)(H,27,30,31)
InChIKeyCKGPIXYQIZJKDP-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 139009288) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID139009288
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCOC4(CCCC4)C3)cc(C(C)C)nc21
InChIInChI=1S/C24H34N4O4/c1-14(2)13-28-20-19(22(30)27-23(28)31)17(11-18(26-20)15(3)4)21(29)25-16-7-10-32-24(12-16)8-5-6-9-24/h11,14-16H,5-10,12-13H2,1-4H3,(H,25,29)(H,27,30,31)
InChIKeyCKGPIXYQIZJKDP-UHFFFAOYSA-N
XLogP3.09
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 139009288) is 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCOC4(CCCC4)C3)cc(C(C)C)nc21.
What is the InChIKey of 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CKGPIXYQIZJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-14(2)13-28-20-19(22(30)27-23(28)31)17(11-18(26-20)15(3)4)21(29)25-16-7-10-32-24(12-16)8-5-6-9-24/h11,14-16H,5-10,12-13H2,1-4H3,(H,25,29)(H,27,30,31).
What are the key properties of 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 139009288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).