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

C14H13N2O2- — CID 7420321

IUPAC3-methyl-4-(pyridin-2-ylmethylamino)benzoate
SMILESCc1cc(C(=O)[O-])ccc1NCc1ccccn1
InChIInChI=1S/C14H14N2O2/c1-10-8-11(14(17)18)5-6-13(10)16-9-12-4-2-3-7-15-12/h2-8,16H,9H2,1H3,(H,17,18)/p-1
InChIKeyWJQSUUZGSQJEQV-UHFFFAOYSA-M
MW241.27 g/mol
LogP1.37
Rot. Bonds4

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

3-methyl-4-(pyridin-2-ylmethylamino)benzoate (PubChem CID 7420321) has the molecular formula C14H13N2O2- and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-methyl-4-(pyridin-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name3-methyl-4-(pyridin-2-ylmethylamino)benzoate
PubChem CID7420321
Molecular FormulaC14H13N2O2-
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-methyl-4-(pyridin-2-ylmethylamino)benzoate
SMILESCc1cc(C(=O)[O-])ccc1NCc1ccccn1
InChIInChI=1S/C14H14N2O2/c1-10-8-11(14(17)18)5-6-13(10)16-9-12-4-2-3-7-15-12/h2-8,16H,9H2,1H3,(H,17,18)/p-1
InChIKeyWJQSUUZGSQJEQV-UHFFFAOYSA-M
XLogP1.37
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
4-methoxy-3-(pyridin-2-ylmethylamino)benzoate
CID 7201409
3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
CID 82989252
3-methyl-4-(2-pyridin-2-ylethylamino)benzenecarbothioamide
CID 54934528
methyl 5-methyl-2-(pyridin-2-ylmethylamino)benzoate
CID 43679207
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid
CID 55107787
1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101270
methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate
CID 43684452
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyridin-2-ylmethylamino)benzoate?
The IUPAC name of 3-methyl-4-(pyridin-2-ylmethylamino)benzoate (CID 7420321) is 3-methyl-4-(pyridin-2-ylmethylamino)benzoate.
What is the SMILES notation for 3-methyl-4-(pyridin-2-ylmethylamino)benzoate?
The canonical SMILES for 3-methyl-4-(pyridin-2-ylmethylamino)benzoate is Cc1cc(C(=O)[O-])ccc1NCc1ccccn1.
What is the InChIKey of 3-methyl-4-(pyridin-2-ylmethylamino)benzoate?
The InChIKey is WJQSUUZGSQJEQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O2/c1-10-8-11(14(17)18)5-6-13(10)16-9-12-4-2-3-7-15-12/h2-8,16H,9H2,1H3,(H,17,18)/p-1.
What are the key properties of 3-methyl-4-(pyridin-2-ylmethylamino)benzoate?
3-methyl-4-(pyridin-2-ylmethylamino)benzoate has a molecular weight of 241.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyridin-2-ylmethylamino)benzoate is sourced from PubChem (CID 7420321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).