3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

C22H25N5O — CID 119058818

IUPAC3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCn1cc(-c2cccc(C(=O)NC3CCN(Cc4ccncc4)CC3)c2)cn1
InChIInChI=1S/C22H25N5O/c1-26-16-20(14-24-26)18-3-2-4-19(13-18)22(28)25-21-7-11-27(12-8-21)15-17-5-9-23-10-6-17/h2-6,9-10,13-14,16,21H,7-8,11-12,15H2,1H3,(H,25,28)
InChIKeyAZRZDEMTLOOVBR-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.88
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 119058818) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
PubChem CID119058818
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCn1cc(-c2cccc(C(=O)NC3CCN(Cc4ccncc4)CC3)c2)cn1
InChIInChI=1S/C22H25N5O/c1-26-16-20(14-24-26)18-3-2-4-19(13-18)22(28)25-21-7-11-27(12-8-21)15-17-5-9-23-10-6-17/h2-6,9-10,13-14,16,21H,7-8,11-12,15H2,1H3,(H,25,28)
InChIKeyAZRZDEMTLOOVBR-UHFFFAOYSA-N
XLogP2.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (CID 119058818) is 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is Cn1cc(-c2cccc(C(=O)NC3CCN(Cc4ccncc4)CC3)c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is AZRZDEMTLOOVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-16-20(14-24-26)18-3-2-4-19(13-18)22(28)25-21-7-11-27(12-8-21)15-17-5-9-23-10-6-17/h2-6,9-10,13-14,16,21H,7-8,11-12,15H2,1H3,(H,25,28).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 119058818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).