2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

C22H25N5O — CID 53181058

IUPAC2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCC1CCN(c2cc(-c3cccnc3)[nH]n2)CC1
InChIInChI=1S/C22H25N5O/c1-16-5-2-3-7-19(16)22(28)24-14-17-8-11-27(12-9-17)21-13-20(25-26-21)18-6-4-10-23-15-18/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyXNQASRBRFBPTPI-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.43
Rot. Bonds5

About 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 53181058) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
PubChem CID53181058
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCC1CCN(c2cc(-c3cccnc3)[nH]n2)CC1
InChIInChI=1S/C22H25N5O/c1-16-5-2-3-7-19(16)22(28)24-14-17-8-11-27(12-9-17)21-13-20(25-26-21)18-6-4-10-23-15-18/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyXNQASRBRFBPTPI-UHFFFAOYSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (CID 53181058) is 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is Cc1ccccc1C(=O)NCC1CCN(c2cc(-c3cccnc3)[nH]n2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is XNQASRBRFBPTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-5-2-3-7-19(16)22(28)24-14-17-8-11-27(12-9-17)21-13-20(25-26-21)18-6-4-10-23-15-18/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 53181058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).