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

C25H31N5O2 — CID 24794269

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H31N5O2/c1-19-21(17-29(3)27-19)16-28(2)25(31)20-7-9-23(10-8-20)32-24-11-14-30(15-12-24)18-22-6-4-5-13-26-22/h4-10,13,17,24H,11-12,14-16,18H2,1-3H3
InChIKeyZYGYZECAXVBKHU-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.44
Rot. Bonds7

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24794269) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24794269
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H31N5O2/c1-19-21(17-29(3)27-19)16-28(2)25(31)20-7-9-23(10-8-20)32-24-11-14-30(15-12-24)18-22-6-4-5-13-26-22/h4-10,13,17,24H,11-12,14-16,18H2,1-3H3
InChIKeyZYGYZECAXVBKHU-UHFFFAOYSA-N
XLogP3.44
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24794269) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1nn(C)cc1CN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is ZYGYZECAXVBKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-19-21(17-29(3)27-19)16-28(2)25(31)20-7-9-23(10-8-20)32-24-11-14-30(15-12-24)18-22-6-4-5-13-26-22/h4-10,13,17,24H,11-12,14-16,18H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 433.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24794269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).