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

C17H20N4O2 — CID 130360624

IUPACN-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)NCC12CC(COc3ccc(-c4ccn[nH]4)nc3)(C1)C2
InChIInChI=1S/C17H20N4O2/c1-12(22)19-10-16-7-17(8-16,9-16)11-23-13-2-3-14(18-6-13)15-4-5-20-21-15/h2-6H,7-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyRDCRAQGKDBZDHW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.16
Rot. Bonds6

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

N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (PubChem CID 130360624) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
PubChem CID130360624
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)NCC12CC(COc3ccc(-c4ccn[nH]4)nc3)(C1)C2
InChIInChI=1S/C17H20N4O2/c1-12(22)19-10-16-7-17(8-16,9-16)11-23-13-2-3-14(18-6-13)15-4-5-20-21-15/h2-6H,7-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyRDCRAQGKDBZDHW-UHFFFAOYSA-N
XLogP2.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The IUPAC name of N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (CID 130360624) is 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-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is CC(=O)NCC12CC(COc3ccc(-c4ccn[nH]4)nc3)(C1)C2.
What is the InChIKey of N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The InChIKey is RDCRAQGKDBZDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(22)19-10-16-7-17(8-16,9-16)11-23-13-2-3-14(18-6-13)15-4-5-20-21-15/h2-6H,7-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is sourced from PubChem (CID 130360624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).