N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C26H33N5O2 — CID 24817125

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1C
InChIInChI=1S/C26H33N5O2/c1-4-31-20(3)25(19(2)29-31)17-28-26(32)21-8-10-23(11-9-21)33-24-12-15-30(16-13-24)18-22-7-5-6-14-27-22/h5-11,14,24H,4,12-13,15-18H2,1-3H3,(H,28,32)
InChIKeyPEFWBBWWYOWQTH-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.89
Rot. Bonds8

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24817125) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24817125
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1C
InChIInChI=1S/C26H33N5O2/c1-4-31-20(3)25(19(2)29-31)17-28-26(32)21-8-10-23(11-9-21)33-24-12-15-30(16-13-24)18-22-7-5-6-14-27-22/h5-11,14,24H,4,12-13,15-18H2,1-3H3,(H,28,32)
InChIKeyPEFWBBWWYOWQTH-UHFFFAOYSA-N
XLogP3.89
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24817125) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is PEFWBBWWYOWQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-4-31-20(3)25(19(2)29-31)17-28-26(32)21-8-10-23(11-9-21)33-24-12-15-30(16-13-24)18-22-7-5-6-14-27-22/h5-11,14,24H,4,12-13,15-18H2,1-3H3,(H,28,32).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 447.58 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24817125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).