methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate

C15H15N3O4 — CID 59987507

IUPACmethyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C15H15N3O4/c1-21-14(19)9-18-15(20)13-8-12(6-7-17-13)22-11-4-2-10(16)3-5-11/h2-8H,9,16H2,1H3,(H,18,20)
InChIKeyOFVSPQSHEMFUSW-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.36
Rot. Bonds5

About methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate

methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate (PubChem CID 59987507) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
PubChem CID59987507
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C15H15N3O4/c1-21-14(19)9-18-15(20)13-8-12(6-7-17-13)22-11-4-2-10(16)3-5-11/h2-8H,9,16H2,1H3,(H,18,20)
InChIKeyOFVSPQSHEMFUSW-UHFFFAOYSA-N
XLogP1.36
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
CID 91098758
4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
CID 143645839
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148
1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
CID 58272424
4-(4-amino-2-chlorophenoxy)-N-ethylpyridine-2-carboxamide
CID 43517931
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate (CID 59987507) is methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1.
What is the InChIKey of methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate?
The InChIKey is OFVSPQSHEMFUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-14(19)9-18-15(20)13-8-12(6-7-17-13)22-11-4-2-10(16)3-5-11/h2-8H,9,16H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate?
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate has a molecular weight of 301.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 59987507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).