3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine

C17H19N5O — CID 139506875

IUPAC3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESC[C@@H](Oc1cc(-c2cnn(C)c2)cnc1N)c1cccc(N)c1
InChIInChI=1S/C17H19N5O/c1-11(12-4-3-5-15(18)6-12)23-16-7-13(8-20-17(16)19)14-9-21-22(2)10-14/h3-11H,18H2,1-2H3,(H2,19,20)/t11-/m1/s1
InChIKeyHFCXFIZWJVSLGK-LLVKDONJSA-N
MW309.37 g/mol
LogP2.79
Rot. Bonds4

About 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine

3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 139506875) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID139506875
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESC[C@@H](Oc1cc(-c2cnn(C)c2)cnc1N)c1cccc(N)c1
InChIInChI=1S/C17H19N5O/c1-11(12-4-3-5-15(18)6-12)23-16-7-13(8-20-17(16)19)14-9-21-22(2)10-14/h3-11H,18H2,1-2H3,(H2,19,20)/t11-/m1/s1
InChIKeyHFCXFIZWJVSLGK-LLVKDONJSA-N
XLogP2.79
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide
CID 166039796
N-[3-[(1R)-1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide
CID 139507254
3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 168665646
5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
CID 170429171
3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
1-methyl-4-(1-phenylethoxy)pyrazole
CID 116794115
5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
CID 154159068
3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
CID 61263144
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[1-[(1R)-1-phenylprop-2-enyl]piperidin-4-yl]pyrazol-4-yl]pyridin-2-amine
CID 175468478
3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 174502015

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 139506875) is 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine is C[C@@H](Oc1cc(-c2cnn(C)c2)cnc1N)c1cccc(N)c1.
What is the InChIKey of 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is HFCXFIZWJVSLGK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(12-4-3-5-15(18)6-12)23-16-7-13(8-20-17(16)19)14-9-21-22(2)10-14/h3-11H,18H2,1-2H3,(H2,19,20)/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 139506875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).