methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate

C24H24N2O5 — CID 55803950

IUPACmethyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C24H24N2O5/c1-3-14-30-20-9-11-21(12-10-20)31-23-19(8-5-13-25-23)16-26-22(27)17-6-4-7-18(15-17)24(28)29-2/h4-13,15H,3,14,16H2,1-2H3,(H,26,27)
InChIKeyXWDXOZJYHPLHPE-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.38
Rot. Bonds9

About methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate

methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate (PubChem CID 55803950) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
PubChem CID55803950
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Namemethyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C24H24N2O5/c1-3-14-30-20-9-11-21(12-10-20)31-23-19(8-5-13-25-23)16-26-22(27)17-6-4-7-18(15-17)24(28)29-2/h4-13,15H,3,14,16H2,1-2H3,(H,26,27)
InChIKeyXWDXOZJYHPLHPE-UHFFFAOYSA-N
XLogP4.38
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55803628
1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 55803883
1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549457
(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide
CID 119857037
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111404623
1-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549456
2-methyl-1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970637
N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55803793
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
CID 56750373
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
3,5-dimethyl-4-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55803729
methyl 3-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]-5-nitrobenzoate
CID 38537742

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate (CID 55803950) is methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate is CCCOc1ccc(Oc2ncccc2CNC(=O)c2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate?
The InChIKey is XWDXOZJYHPLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-14-30-20-9-11-21(12-10-20)31-23-19(8-5-13-25-23)16-26-22(27)17-6-4-7-18(15-17)24(28)29-2/h4-13,15H,3,14,16H2,1-2H3,(H,26,27).
What are the key properties of methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate?
methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate has a molecular weight of 420.47 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate is sourced from PubChem (CID 55803950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).