methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate

C15H16N2O2 — CID 43714414

IUPACmethyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate
SMILESCOC(=O)c1cccc(NCc2ccncc2)c1C
InChIInChI=1S/C15H16N2O2/c1-11-13(15(18)19-2)4-3-5-14(11)17-10-12-6-8-16-9-7-12/h3-9,17H,10H2,1-2H3
InChIKeyXVDYGUKXCZHJDY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.79
Rot. Bonds4

About methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate

methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate (PubChem CID 43714414) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate
PubChem CID43714414
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate
SMILESCOC(=O)c1cccc(NCc2ccncc2)c1C
InChIInChI=1S/C15H16N2O2/c1-11-13(15(18)19-2)4-3-5-14(11)17-10-12-6-8-16-9-7-12/h3-9,17H,10H2,1-2H3
InChIKeyXVDYGUKXCZHJDY-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(pyrimidin-4-ylmethylamino)benzoate
CID 55109818
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbenzoate
CID 43714481
methyl 3-[(3-fluoro-4-methylphenyl)methylamino]-2-methylbenzoate
CID 63644529
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212
methyl 3-[(3-cyanophenyl)methylamino]-2-methylbenzoate
CID 43714422
methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten
CID 58763662
methyl 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbenzoate
CID 64580704
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate
CID 79782982
methyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbenzoate
CID 83086650
methyl 3-(3,3-dimethylbutylamino)-2-methylbenzoate
CID 55198954
methyl 3-(2,2-dimethoxyethylamino)-2-methylbenzoate
CID 63697063
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate?
The IUPAC name of methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate (CID 43714414) is methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate.
What is the SMILES notation for methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate?
The canonical SMILES for methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate is COC(=O)c1cccc(NCc2ccncc2)c1C.
What is the InChIKey of methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate?
The InChIKey is XVDYGUKXCZHJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-13(15(18)19-2)4-3-5-14(11)17-10-12-6-8-16-9-7-12/h3-9,17H,10H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate?
methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate has a molecular weight of 256.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate is sourced from PubChem (CID 43714414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).