(2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide

C16H19N3O2 — CID 67235320

IUPAC(2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide
SMILESCc1cccc(C)c1Oc1ccc(N[C@H](C)C(N)=O)cn1
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-11(2)15(10)21-14-8-7-13(9-18-14)19-12(3)16(17)20/h4-9,12,19H,1-3H3,(H2,17,20)/t12-/m1/s1
InChIKeyBKGPOILEMYEOQR-GFCCVEGCSA-N
MW285.35 g/mol
LogP2.78
Rot. Bonds5

About (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide

(2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide (PubChem CID 67235320) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide
PubChem CID67235320
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide
SMILESCc1cccc(C)c1Oc1ccc(N[C@H](C)C(N)=O)cn1
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-11(2)15(10)21-14-8-7-13(9-18-14)19-12(3)16(17)20/h4-9,12,19H,1-3H3,(H2,17,20)/t12-/m1/s1
InChIKeyBKGPOILEMYEOQR-GFCCVEGCSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide (CID 67235320) is (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide is Cc1cccc(C)c1Oc1ccc(N[C@H](C)C(N)=O)cn1.
What is the InChIKey of (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is BKGPOILEMYEOQR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-5-4-6-11(2)15(10)21-14-8-7-13(9-18-14)19-12(3)16(17)20/h4-9,12,19H,1-3H3,(H2,17,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide?
(2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 67235320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).