4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C22H25N5O2 — CID 24817226

IUPAC4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-20-4-2-18(3-5-20)22(28)25-21-8-13-24-27(21)19-9-14-26(15-10-19)16-17-6-11-23-12-7-17/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,25,28)
InChIKeySIJBSHKXXHCGSF-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.38
Rot. Bonds6

About 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24817226) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24817226
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-20-4-2-18(3-5-20)22(28)25-21-8-13-24-27(21)19-9-14-26(15-10-19)16-17-6-11-23-12-7-17/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,25,28)
InChIKeySIJBSHKXXHCGSF-UHFFFAOYSA-N
XLogP3.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24817226) is 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is SIJBSHKXXHCGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-20-4-2-18(3-5-20)22(28)25-21-8-13-24-27(21)19-9-14-26(15-10-19)16-17-6-11-23-12-7-17/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,25,28).
What are the key properties of 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24817226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).