4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide

C18H26N4O2 — CID 172660892

IUPAC4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H26N4O2/c1-11(2)7-9-22-10-8-12(3)15(18(22)24)17(23)19-16-13(4)20-21(6)14(16)5/h8,10-11H,7,9H2,1-6H3,(H,19,23)
InChIKeyWTKWXZFNKNWUDG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide

4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 172660892) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID172660892
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H26N4O2/c1-11(2)7-9-22-10-8-12(3)15(18(22)24)17(23)19-16-13(4)20-21(6)14(16)5/h8,10-11H,7,9H2,1-6H3,(H,19,23)
InChIKeyWTKWXZFNKNWUDG-UHFFFAOYSA-N
XLogP2.81
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide (CID 172660892) is 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is WTKWXZFNKNWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11(2)7-9-22-10-8-12(3)15(18(22)24)17(23)19-16-13(4)20-21(6)14(16)5/h8,10-11H,7,9H2,1-6H3,(H,19,23).
What are the key properties of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 172660892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).