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

C14H13N2O3- — CID 7201409

IUPAC4-methoxy-3-(pyridin-2-ylmethylamino)benzoate
SMILESCOc1ccc(C(=O)[O-])cc1NCc1ccccn1
InChIInChI=1S/C14H14N2O3/c1-19-13-6-5-10(14(17)18)8-12(13)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)/p-1
InChIKeyLSCAALPLWITLJT-UHFFFAOYSA-M
MW257.27 g/mol
LogP1.07
Rot. Bonds5

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

4-methoxy-3-(pyridin-2-ylmethylamino)benzoate (PubChem CID 7201409) has the molecular formula C14H13N2O3- and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name4-methoxy-3-(pyridin-2-ylmethylamino)benzoate
PubChem CID7201409
Molecular FormulaC14H13N2O3-
Molecular Weight257.27 g/mol
Exact Mass257.09
IUPAC Name4-methoxy-3-(pyridin-2-ylmethylamino)benzoate
SMILESCOc1ccc(C(=O)[O-])cc1NCc1ccccn1
InChIInChI=1S/C14H14N2O3/c1-19-13-6-5-10(14(17)18)8-12(13)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)/p-1
InChIKeyLSCAALPLWITLJT-UHFFFAOYSA-M
XLogP1.07
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate
CID 43684452
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714
N-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306967
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745
methyl N-[4-methoxy-7-(pyridin-2-ylmethylamino)-1,3-benzothiazol-2-yl]carbamate
CID 86589018
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120732
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate?
The IUPAC name of 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate (CID 7201409) is 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate.
What is the SMILES notation for 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate?
The canonical SMILES for 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate is COc1ccc(C(=O)[O-])cc1NCc1ccccn1.
What is the InChIKey of 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate?
The InChIKey is LSCAALPLWITLJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O3/c1-19-13-6-5-10(14(17)18)8-12(13)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)/p-1.
What are the key properties of 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate?
4-methoxy-3-(pyridin-2-ylmethylamino)benzoate has a molecular weight of 257.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(pyridin-2-ylmethylamino)benzoate is sourced from PubChem (CID 7201409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).