2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide

C18H17FN4O2 — CID 121023422

IUPAC2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1nccc1-c1ccc(CNC(=O)COc2ccc(F)cc2)cn1
InChIInChI=1S/C18H17FN4O2/c1-23-17(8-9-22-23)16-7-2-13(10-20-16)11-21-18(24)12-25-15-5-3-14(19)4-6-15/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyHFBPXFIORWIFTI-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide

2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 121023422) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
PubChem CID121023422
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1nccc1-c1ccc(CNC(=O)COc2ccc(F)cc2)cn1
InChIInChI=1S/C18H17FN4O2/c1-23-17(8-9-22-23)16-7-2-13(10-20-16)11-21-18(24)12-25-15-5-3-14(19)4-6-15/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyHFBPXFIORWIFTI-UHFFFAOYSA-N
XLogP2.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
3-(2-methylphenyl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122162670
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122162679
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162686
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
5-(furan-2-yl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 122162680
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide (CID 121023422) is 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide is Cn1nccc1-c1ccc(CNC(=O)COc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is HFBPXFIORWIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23-17(8-9-22-23)16-7-2-13(10-20-16)11-21-18(24)12-25-15-5-3-14(19)4-6-15/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide?
2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121023422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).