6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide

C17H22N4O2 — CID 110090881

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)C3CCOCC3)cn2)n1
InChIInChI=1S/C17H22N4O2/c1-12-10-13(2)21(19-12)16-5-4-14(11-18-16)17(22)20(3)15-6-8-23-9-7-15/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyUTJUEUOMXSNVNK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.14
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 110090881) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID110090881
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)C3CCOCC3)cn2)n1
InChIInChI=1S/C17H22N4O2/c1-12-10-13(2)21(19-12)16-5-4-14(11-18-16)17(22)20(3)15-6-8-23-9-7-15/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyUTJUEUOMXSNVNK-UHFFFAOYSA-N
XLogP2.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (CID 110090881) is 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)N(C)C3CCOCC3)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is UTJUEUOMXSNVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-13(2)21(19-12)16-5-4-14(11-18-16)17(22)20(3)15-6-8-23-9-7-15/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110090881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).