4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane

C20H25N3O — CID 142137195

IUPAC4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane
SMILESC1CC1.C=C(Nc1cc(Oc2ccc(N)cc2)ccn1)C1CCC1
InChIInChI=1S/C17H19N3O.C3H6/c1-12(13-3-2-4-13)20-17-11-16(9-10-19-17)21-15-7-5-14(18)6-8-15;1-2-3-1/h5-11,13H,1-4,18H2,(H,19,20);1-3H2
InChIKeyYPRXAMUGMINXRM-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.35
Rot. Bonds5

About 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane

4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane (PubChem CID 142137195) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane
PubChem CID142137195
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane
SMILESC1CC1.C=C(Nc1cc(Oc2ccc(N)cc2)ccn1)C1CCC1
InChIInChI=1S/C17H19N3O.C3H6/c1-12(13-3-2-4-13)20-17-11-16(9-10-19-17)21-15-7-5-14(18)6-8-15;1-2-3-1/h5-11,13H,1-4,18H2,(H,19,20);1-3H2
InChIKeyYPRXAMUGMINXRM-UHFFFAOYSA-N
XLogP5.35
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.35
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

4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine
CID 142137196
N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide
CID 118231309
4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
CID 91098758
4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
CID 143645839
N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 89363606
1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
CID 58272424
N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 174225433
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58055283
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane?
The IUPAC name of 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane (CID 142137195) is 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane.
What is the SMILES notation for 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane?
The canonical SMILES for 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane is C1CC1.C=C(Nc1cc(Oc2ccc(N)cc2)ccn1)C1CCC1.
What is the InChIKey of 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane?
The InChIKey is YPRXAMUGMINXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.C3H6/c1-12(13-3-2-4-13)20-17-11-16(9-10-19-17)21-15-7-5-14(18)6-8-15;1-2-3-1/h5-11,13H,1-4,18H2,(H,19,20);1-3H2.
What are the key properties of 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane?
4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane has a molecular weight of 323.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane is sourced from PubChem (CID 142137195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).