5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide

C13H13N3O2 — CID 91586883

IUPAC5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(COc2ccc(N)cc2)c1
InChIInChI=1S/C13H13N3O2/c14-11-1-3-12(4-2-11)18-8-9-5-10(13(15)17)7-16-6-9/h1-7H,8,14H2,(H2,15,17)
InChIKeyJQTOTTJNXVNVSV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.34
Rot. Bonds4

About 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide

5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide (PubChem CID 91586883) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide
PubChem CID91586883
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(COc2ccc(N)cc2)c1
InChIInChI=1S/C13H13N3O2/c14-11-1-3-12(4-2-11)18-8-9-5-10(13(15)17)7-16-6-9/h1-7H,8,14H2,(H2,15,17)
InChIKeyJQTOTTJNXVNVSV-UHFFFAOYSA-N
XLogP1.34
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide
CID 163813749
1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone
CID 59626117
5-(2-bromoethyl)pyridine-3-carboxamide
CID 91033103
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
5-(2,3-dioxobutyl)pyridine-3-carboxamide
CID 164952929
4-[(6-hydrazinyl-3-pyridinyl)methoxy]benzamide
CID 62244712
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
4-(quinolin-3-ylmethoxy)aniline
CID 19733697
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide (CID 91586883) is 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide is NC(=O)c1cncc(COc2ccc(N)cc2)c1.
What is the InChIKey of 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide?
The InChIKey is JQTOTTJNXVNVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11-1-3-12(4-2-11)18-8-9-5-10(13(15)17)7-16-6-9/h1-7H,8,14H2,(H2,15,17).
What are the key properties of 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide?
5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91586883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).