4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide

C24H28N4O2 — CID 127029950

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3(c4ccccn4)CCOCC3)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-18-15-19(2)28(27-18)16-20-6-8-21(9-7-20)23(29)26-17-24(10-13-30-14-11-24)22-5-3-4-12-25-22/h3-9,12,15H,10-11,13-14,16-17H2,1-2H3,(H,26,29)
InChIKeyXXWOIRKGTCPPQW-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.42
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide (PubChem CID 127029950) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide
PubChem CID127029950
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3(c4ccccn4)CCOCC3)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-18-15-19(2)28(27-18)16-20-6-8-21(9-7-20)23(29)26-17-24(10-13-30-14-11-24)22-5-3-4-12-25-22/h3-9,12,15H,10-11,13-14,16-17H2,1-2H3,(H,26,29)
InChIKeyXXWOIRKGTCPPQW-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide (CID 127029950) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCC3(c4ccccn4)CCOCC3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is XXWOIRKGTCPPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-15-19(2)28(27-18)16-20-6-8-21(9-7-20)23(29)26-17-24(10-13-30-14-11-24)22-5-3-4-12-25-22/h3-9,12,15H,10-11,13-14,16-17H2,1-2H3,(H,26,29).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-pyridin-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 127029950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).