4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate

C26H25N5O5 — CID 162090161

IUPAC4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
SMILESCNC(=O)c1cc(Oc2ccc(N)cc2)ccn1.COC(=O)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C13H13N3O2.C13H12N2O3/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10;1-17-13(16)12-8-11(6-7-15-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17);2-8H,14H2,1H3
InChIKeyZDMMQCDLUXOKPC-UHFFFAOYSA-N
MW487.52 g/mol
LogP4.06
Rot. Bonds6

About 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate

4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate (PubChem CID 162090161) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
PubChem CID162090161
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
SMILESCNC(=O)c1cc(Oc2ccc(N)cc2)ccn1.COC(=O)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C13H13N3O2.C13H12N2O3/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10;1-17-13(16)12-8-11(6-7-15-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17);2-8H,14H2,1H3
InChIKeyZDMMQCDLUXOKPC-UHFFFAOYSA-N
XLogP4.06
TPSA151.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
CID 143645839
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
The IUPAC name of 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate (CID 162090161) is 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
The canonical SMILES for 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate is CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1.COC(=O)c1cc(Oc2ccc(N)cc2)ccn1.
What is the InChIKey of 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
The InChIKey is ZDMMQCDLUXOKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.C13H12N2O3/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10;1-17-13(16)12-8-11(6-7-15-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17);2-8H,14H2,1H3.
What are the key properties of 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate?
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate has a molecular weight of 487.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 162090161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).