2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide

C23H22N2O3 — CID 166793604

IUPAC2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide
SMILESCCC(=O)c1ccc(OCc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-3-22(26)17-4-7-19(8-5-17)28-14-16-10-11-25-21(13-16)18-6-9-20(23(24)27)15(2)12-18/h4-13H,3,14H2,1-2H3,(H2,24,27)
InChIKeyLOOXTQZORUULBX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.33
Rot. Bonds7

About 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide

2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide (PubChem CID 166793604) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide
PubChem CID166793604
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide
SMILESCCC(=O)c1ccc(OCc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-3-22(26)17-4-7-19(8-5-17)28-14-16-10-11-25-21(13-16)18-6-9-20(23(24)27)15(2)12-18/h4-13H,3,14H2,1-2H3,(H2,24,27)
InChIKeyLOOXTQZORUULBX-UHFFFAOYSA-N
XLogP4.33
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793626
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
CID 166793684
4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793682
4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
CID 170054875
4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
CID 170055033
2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
CID 166100350
4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166100431
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
4-[4-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]-N,2-dimethylbenzamide
CID 170054886
4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide
CID 171537255
ethane;2-methyl-4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-pyridinyl]benzamide
CID 171537294
4-[4-[[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]oxymethyl]-2-pyridinyl]-2-methylbenzohydrazide
CID 170055048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide (CID 166793604) is 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide is CCC(=O)c1ccc(OCc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc1.
What is the InChIKey of 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide?
The InChIKey is LOOXTQZORUULBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-22(26)17-4-7-19(8-5-17)28-14-16-10-11-25-21(13-16)18-6-9-20(23(24)27)15(2)12-18/h4-13H,3,14H2,1-2H3,(H2,24,27).
What are the key properties of 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide?
2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 166793604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).