N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C26H33N5O2 — CID 24790444

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H33N5O2/c1-20(2)31(18-21-16-28-29(3)17-21)26(32)22-7-9-24(10-8-22)33-25-11-14-30(15-12-25)19-23-6-4-5-13-27-23/h4-10,13,16-17,20,25H,11-12,14-15,18-19H2,1-3H3
InChIKeyABZKZUPJETXUPH-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.91
Rot. Bonds8

About N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24790444) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24790444
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H33N5O2/c1-20(2)31(18-21-16-28-29(3)17-21)26(32)22-7-9-24(10-8-22)33-25-11-14-30(15-12-25)19-23-6-4-5-13-27-23/h4-10,13,16-17,20,25H,11-12,14-15,18-19H2,1-3H3
InChIKeyABZKZUPJETXUPH-UHFFFAOYSA-N
XLogP3.91
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24790444) is N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CC(C)N(Cc1cnn(C)c1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is ABZKZUPJETXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-20(2)31(18-21-16-28-29(3)17-21)26(32)22-7-9-24(10-8-22)33-25-11-14-30(15-12-25)19-23-6-4-5-13-27-23/h4-10,13,16-17,20,25H,11-12,14-15,18-19H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 447.58 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24790444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).