2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide

C18H17ClN4O2 — CID 122274351

IUPAC2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2ccc(CNC(=O)COc3ccc(Cl)cc3)cn2)cn1
InChIInChI=1S/C18H17ClN4O2/c1-23-11-14(10-22-23)17-7-2-13(8-20-17)9-21-18(24)12-25-16-5-3-15(19)4-6-16/h2-8,10-11H,9,12H2,1H3,(H,21,24)
InChIKeyWNMSMSJBHIBROI-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 122274351) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
PubChem CID122274351
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2ccc(CNC(=O)COc3ccc(Cl)cc3)cn2)cn1
InChIInChI=1S/C18H17ClN4O2/c1-23-11-14(10-22-23)17-7-2-13(8-20-17)9-21-18(24)12-25-16-5-3-15(19)4-6-16/h2-8,10-11H,9,12H2,1H3,(H,21,24)
InChIKeyWNMSMSJBHIBROI-UHFFFAOYSA-N
XLogP2.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.83
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
2-(4-chlorophenoxy)-2-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121022514
3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274401
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122274694
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
2-(4-chlorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730520
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (CID 122274351) is 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is Cn1cc(-c2ccc(CNC(=O)COc3ccc(Cl)cc3)cn2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is WNMSMSJBHIBROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-23-11-14(10-22-23)17-7-2-13(8-20-17)9-21-18(24)12-25-16-5-3-15(19)4-6-16/h2-8,10-11H,9,12H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 122274351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).