methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate

C16H18N2O3 — CID 78993371

IUPACmethyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1cccnc1OC)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-20-15-13(9-6-10-17-15)11-18-14(16(19)21-2)12-7-4-3-5-8-12/h3-10,14,18H,11H2,1-2H3
InChIKeyIARKHYQCOJGSID-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.09
Rot. Bonds6

About methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate

methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate (PubChem CID 78993371) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
PubChem CID78993371
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1cccnc1OC)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-20-15-13(9-6-10-17-15)11-18-14(16(19)21-2)12-7-4-3-5-8-12/h3-10,14,18H,11H2,1-2H3
InChIKeyIARKHYQCOJGSID-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-cyano-3-pyridinyl)methylamino]-2-phenylacetate
CID 62893726
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate (CID 78993371) is methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate is COC(=O)C(NCc1cccnc1OC)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate?
The InChIKey is IARKHYQCOJGSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-13(9-6-10-17-15)11-18-14(16(19)21-2)12-7-4-3-5-8-12/h3-10,14,18H,11H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate?
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate has a molecular weight of 286.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate is sourced from PubChem (CID 78993371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).