1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one

C17H18N2O2 — CID 58272424

IUPAC1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
SMILESNc1ccc(Oc2ccnc(C(=O)CCC3CC3)c2)cc1
InChIInChI=1S/C17H18N2O2/c18-13-4-6-14(7-5-13)21-15-9-10-19-16(11-15)17(20)8-3-12-1-2-12/h4-7,9-12H,1-3,8,18H2
InChIKeyHQDYESOMGVRAMG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.83
Rot. Bonds6

About 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one

1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one (PubChem CID 58272424) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
PubChem CID58272424
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
SMILESNc1ccc(Oc2ccnc(C(=O)CCC3CC3)c2)cc1
InChIInChI=1S/C17H18N2O2/c18-13-4-6-14(7-5-13)21-15-9-10-19-16(11-15)17(20)8-3-12-1-2-12/h4-7,9-12H,1-3,8,18H2
InChIKeyHQDYESOMGVRAMG-UHFFFAOYSA-N
XLogP3.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507
4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
CID 91098758
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
CID 143645839
2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349315
4-[5-(cyclopropylmethylcarbamoyl)naphthalen-2-yl]oxypyridine-2-carboxamide
CID 143083772
1-[4-amino-3-(trifluoromethyl)phenyl]-3-[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]urea
CID 58263513
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
4-(5-amino-2-bromophenoxy)pyridine-2-carboxamide
CID 103011692

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one?
The IUPAC name of 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one (CID 58272424) is 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one is Nc1ccc(Oc2ccnc(C(=O)CCC3CC3)c2)cc1.
What is the InChIKey of 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one?
The InChIKey is HQDYESOMGVRAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-13-4-6-14(7-5-13)21-15-9-10-19-16(11-15)17(20)8-3-12-1-2-12/h4-7,9-12H,1-3,8,18H2.
What are the key properties of 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one?
1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one is sourced from PubChem (CID 58272424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).