methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate

C17H20N2O2 — CID 75500018

IUPACmethyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate
SMILESCOC(=O)C(C)(C)c1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,16(20)21-3)14-6-8-15(9-7-14)19-12-13-5-4-10-18-11-13/h4-11,19H,12H2,1-3H3
InChIKeyVBZXSWZJSHTTIT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.14
Rot. Bonds5

About methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate

methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate (PubChem CID 75500018) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate
PubChem CID75500018
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate
SMILESCOC(=O)C(C)(C)c1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,16(20)21-3)14-6-8-15(9-7-14)19-12-13-5-4-10-18-11-13/h4-11,19H,12H2,1-3H3
InChIKeyVBZXSWZJSHTTIT-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
4-[[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)anilino]methyl]benzoic acid
CID 122032650
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
2-methyl-1-[4-(pyridin-3-ylmethylamino)phenyl]propan-1-one
CID 95463721
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
2-(pyridin-3-ylmethylamino)ethyl 2-(4-chlorophenyl)-2-methylpropanoate;hydrochloride
CID 21126731
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate?
The IUPAC name of methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate (CID 75500018) is methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate is COC(=O)C(C)(C)c1ccc(NCc2cccnc2)cc1.
What is the InChIKey of methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate?
The InChIKey is VBZXSWZJSHTTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,16(20)21-3)14-6-8-15(9-7-14)19-12-13-5-4-10-18-11-13/h4-11,19H,12H2,1-3H3.
What are the key properties of methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate?
methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate is sourced from PubChem (CID 75500018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).