methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate

C18H20N2O4 — CID 112533467

IUPACmethyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(CNC(=O)CCc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-6-4-3-5-13(16)7-8-17(21)20-12-15-11-14(9-10-19-15)18(22)24-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyZURSBEYZUFSJOK-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.13
Rot. Bonds7

About methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate

methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate (PubChem CID 112533467) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate
PubChem CID112533467
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(CNC(=O)CCc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-6-4-3-5-13(16)7-8-17(21)20-12-15-11-14(9-10-19-15)18(22)24-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyZURSBEYZUFSJOK-UHFFFAOYSA-N
XLogP2.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide
CID 163318587
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate
CID 112533443
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110727983
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate (CID 112533467) is methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate is COC(=O)c1ccnc(CNC(=O)CCc2ccccc2OC)c1.
What is the InChIKey of methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate?
The InChIKey is ZURSBEYZUFSJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-16-6-4-3-5-13(16)7-8-17(21)20-12-15-11-14(9-10-19-15)18(22)24-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate?
methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 112533467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).