2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide

C20H19N3O2 — CID 121165464

IUPAC2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccnc(-c3ccncc3)c2)cc1
InChIInChI=1S/C20H19N3O2/c1-15-2-4-18(5-3-15)25-14-20(24)23-13-16-6-11-22-19(12-16)17-7-9-21-10-8-17/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyLERSXRDCFXPSAF-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide

2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide (PubChem CID 121165464) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
PubChem CID121165464
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccnc(-c3ccncc3)c2)cc1
InChIInChI=1S/C20H19N3O2/c1-15-2-4-18(5-3-15)25-14-20(24)23-13-16-6-11-22-19(12-16)17-7-9-21-10-8-17/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyLERSXRDCFXPSAF-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 119100867
2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 78878322
2-(4-benzoylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167317
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 11837026
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide (CID 121165464) is 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide is Cc1ccc(OCC(=O)NCc2ccnc(-c3ccncc3)c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is LERSXRDCFXPSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-2-4-18(5-3-15)25-14-20(24)23-13-16-6-11-22-19(12-16)17-7-9-21-10-8-17/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 121165464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).