N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

C18H22N4O2 — CID 130360206

IUPACN-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)N(C)CC12CC(COc3ccc(-c4ccn[nH]4)nc3)(C1)C2
InChIInChI=1S/C18H22N4O2/c1-13(23)22(2)11-17-8-18(9-17,10-17)12-24-14-3-4-15(19-7-14)16-5-6-20-21-16/h3-7H,8-12H2,1-2H3,(H,20,21)
InChIKeyRMXOITBLWKFKRL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.50
Rot. Bonds6

About N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (PubChem CID 130360206) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
PubChem CID130360206
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)N(C)CC12CC(COc3ccc(-c4ccn[nH]4)nc3)(C1)C2
InChIInChI=1S/C18H22N4O2/c1-13(23)22(2)11-17-8-18(9-17,10-17)12-24-14-3-4-15(19-7-14)16-5-6-20-21-16/h3-7H,8-12H2,1-2H3,(H,20,21)
InChIKeyRMXOITBLWKFKRL-UHFFFAOYSA-N
XLogP2.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (CID 130360206) is N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is CC(=O)N(C)CC12CC(COc3ccc(-c4ccn[nH]4)nc3)(C1)C2.
What is the InChIKey of N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The InChIKey is RMXOITBLWKFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(23)22(2)11-17-8-18(9-17,10-17)12-24-14-3-4-15(19-7-14)16-5-6-20-21-16/h3-7H,8-12H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is sourced from PubChem (CID 130360206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).