methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate

C14H14N2O3 — CID 23068205

IUPACmethyl 2-methoxy-4-(pyridin-3-ylamino)benzoate
SMILESCOC(=O)c1ccc(Nc2cccnc2)cc1OC
InChIInChI=1S/C14H14N2O3/c1-18-13-8-10(5-6-12(13)14(17)19-2)16-11-4-3-7-15-9-11/h3-9,16H,1-2H3
InChIKeyUFRWQXQICIHDLL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate

methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate (PubChem CID 23068205) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(pyridin-3-ylamino)benzoate
PubChem CID23068205
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-methoxy-4-(pyridin-3-ylamino)benzoate
SMILESCOC(=O)c1ccc(Nc2cccnc2)cc1OC
InChIInChI=1S/C14H14N2O3/c1-18-13-8-10(5-6-12(13)14(17)19-2)16-11-4-3-7-15-9-11/h3-9,16H,1-2H3
InChIKeyUFRWQXQICIHDLL-UHFFFAOYSA-N
XLogP2.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
methyl 3-(4-pyridin-3-ylanilino)benzoate
CID 164589559
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
methyl 2-fluoro-4-[(pyridin-3-ylamino)methyl]benzoate
CID 126507621
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
2-(oxaloamino)-4-(pyridin-3-ylamino)benzoic acid
CID 70244357
methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate
CID 20765748
methyl 2-methoxy-4-(2-methylpropylamino)benzoate
CID 83295320
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
2-methoxy-4-[(5-methylpyrimidin-2-yl)amino]benzoic acid
CID 107208994

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate?
The IUPAC name of methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate (CID 23068205) is methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate.
What is the SMILES notation for methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate?
The canonical SMILES for methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate is COC(=O)c1ccc(Nc2cccnc2)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate?
The InChIKey is UFRWQXQICIHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-13-8-10(5-6-12(13)14(17)19-2)16-11-4-3-7-15-9-11/h3-9,16H,1-2H3.
What are the key properties of methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate?
methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate has a molecular weight of 258.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate is sourced from PubChem (CID 23068205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).