(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate

C14H14N2O3 — CID 81317382

IUPAC(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
SMILESCOc1ccccc1COC(=O)c1ccc(N)cn1
InChIInChI=1S/C14H14N2O3/c1-18-13-5-3-2-4-10(13)9-19-14(17)12-7-6-11(15)8-16-12/h2-8H,9,15H2,1H3
InChIKeyXCKLMYXDMRLABQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.03
Rot. Bonds4

About (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate

(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate (PubChem CID 81317382) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
PubChem CID81317382
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
SMILESCOc1ccccc1COC(=O)c1ccc(N)cn1
InChIInChI=1S/C14H14N2O3/c1-18-13-5-3-2-4-10(13)9-19-14(17)12-7-6-11(15)8-16-12/h2-8H,9,15H2,1H3
InChIKeyXCKLMYXDMRLABQ-UHFFFAOYSA-N
XLogP2.03
TPSA74.44 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
CID 103173752
quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
CID 81312647
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
2-(5-amino-2-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 107337362
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
butyl 5-aminopyridine-2-carboxylate
CID 81315833
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81312802

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate (CID 81317382) is (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate is COc1ccccc1COC(=O)c1ccc(N)cn1.
What is the InChIKey of (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate?
The InChIKey is XCKLMYXDMRLABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-13-5-3-2-4-10(13)9-19-14(17)12-7-6-11(15)8-16-12/h2-8H,9,15H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate?
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81317382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).