methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate

C18H23N3O4 — CID 139401063

IUPACmethyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cnccc1N)Cc1ccc(OC)cc1OC
InChIInChI=1S/C18H23N3O4/c1-23-15-5-4-13(17(8-15)24-2)10-21(12-18(22)25-3)11-14-9-20-7-6-16(14)19/h4-9H,10-12H2,1-3H3,(H2,19,20)
InChIKeyJEIIHQAUYWMPCT-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.86
Rot. Bonds8

About methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate

methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate (PubChem CID 139401063) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
PubChem CID139401063
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cnccc1N)Cc1ccc(OC)cc1OC
InChIInChI=1S/C18H23N3O4/c1-23-15-5-4-13(17(8-15)24-2)10-21(12-18(22)25-3)11-14-9-20-7-6-16(14)19/h4-9H,10-12H2,1-3H3,(H2,19,20)
InChIKeyJEIIHQAUYWMPCT-UHFFFAOYSA-N
XLogP1.86
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-2-pyrimidin-5-yl-1,3-thiazole-5-carboxylic acid
CID 141190999
ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate
CID 67110496
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
ethyl 5-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 67530941
4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 157121525
ethane;methyl 3-[(2,4-dimethoxyphenyl)methyl-[(E)-4,4,4-trifluorobut-2-enyl]amino]-3-oxopropanoate
CID 143425681
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
CID 24874415
ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 67531325

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate (CID 139401063) is methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate is COC(=O)CN(Cc1cnccc1N)Cc1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate?
The InChIKey is JEIIHQAUYWMPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-15-5-4-13(17(8-15)24-2)10-21(12-18(22)25-3)11-14-9-20-7-6-16(14)19/h4-9H,10-12H2,1-3H3,(H2,19,20).
What are the key properties of methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate?
methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate has a molecular weight of 345.40 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 139401063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).