carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate

C13H11N3O4 — CID 90856634

IUPACcarbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C13H11N3O4/c14-8-1-3-9(4-2-8)19-10-5-6-16-11(7-10)12(17)20-13(15)18/h1-7H,14H2,(H2,15,18)
InChIKeyBFQHFRLNONMRQG-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.69
Rot. Bonds3

About carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate

carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate (PubChem CID 90856634) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namecarbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
PubChem CID90856634
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Namecarbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C13H11N3O4/c14-8-1-3-9(4-2-8)19-10-5-6-16-11(7-10)12(17)20-13(15)18/h1-7H,14H2,(H2,15,18)
InChIKeyBFQHFRLNONMRQG-UHFFFAOYSA-N
XLogP1.69
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.69
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'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
CID 91052781
carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate
CID 90741979
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
CID 91098758
4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
CID 143645839
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507
1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
CID 58272424
carbamoyl 4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 91001608
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
The IUPAC name of carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate (CID 90856634) is carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
The canonical SMILES for carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate is NC(=O)OC(=O)c1cc(Oc2ccc(N)cc2)ccn1.
What is the InChIKey of carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
The InChIKey is BFQHFRLNONMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-8-1-3-9(4-2-8)19-10-5-6-16-11(7-10)12(17)20-13(15)18/h1-7H,14H2,(H2,15,18).
What are the key properties of carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate has a molecular weight of 273.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 90856634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).