N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide

C17H22N4O2 — CID 130360895

IUPACN-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(22)20-14-4-2-13(3-5-14)11-23-15-6-7-16(18-10-15)17-8-9-19-21-17/h6-10,13-14H,2-5,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUCOQDYPCTGWSRE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.55
Rot. Bonds5

About N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide

N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide (PubChem CID 130360895) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
PubChem CID130360895
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(22)20-14-4-2-13(3-5-14)11-23-15-6-7-16(18-10-15)17-8-9-19-21-17/h6-10,13-14H,2-5,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUCOQDYPCTGWSRE-UHFFFAOYSA-N
XLogP2.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide (CID 130360895) is N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1.
What is the InChIKey of N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide?
The InChIKey is UCOQDYPCTGWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(22)20-14-4-2-13(3-5-14)11-23-15-6-7-16(18-10-15)17-8-9-19-21-17/h6-10,13-14H,2-5,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide?
N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 130360895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).