N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide

C20H23N5O3 — CID 31202428

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C20H23N5O3/c1-13-7-10-20(11-8-13)18(27)25(19(28)22-20)23-17(26)15-3-5-16(6-4-15)24-14(2)9-12-21-24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyDBMSWNOHQPWQIH-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.33
Rot. Bonds3

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 31202428) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID31202428
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C20H23N5O3/c1-13-7-10-20(11-8-13)18(27)25(19(28)22-20)23-17(26)15-3-5-16(6-4-15)24-14(2)9-12-21-24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyDBMSWNOHQPWQIH-UHFFFAOYSA-N
XLogP2.33
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide (CID 31202428) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is DBMSWNOHQPWQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-7-10-20(11-8-13)18(27)25(19(28)22-20)23-17(26)15-3-5-16(6-4-15)24-14(2)9-12-21-24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,22,28)(H,23,26).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 381.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 31202428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).