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

C16H19N3O2 — CID 67235654

IUPAC(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
SMILESCc1cccc(Oc2ccc(NC(=O)[C@@H](C)N)cn2)c1C
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-14(11(10)2)21-15-8-7-13(9-18-15)19-16(20)12(3)17/h4-9,12H,17H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyHLWBAYJJHVFISN-GFCCVEGCSA-N
MW285.35 g/mol
LogP2.78
Rot. Bonds4

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

(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide (PubChem CID 67235654) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
PubChem CID67235654
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
SMILESCc1cccc(Oc2ccc(NC(=O)[C@@H](C)N)cn2)c1C
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-14(11(10)2)21-15-8-7-13(9-18-15)19-16(20)12(3)17/h4-9,12H,17H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyHLWBAYJJHVFISN-GFCCVEGCSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-methylpropan-2-yl] N-[(2R)-1-[[6-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
CID 146586096
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232117
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide (CID 67235654) is (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide is Cc1cccc(Oc2ccc(NC(=O)[C@@H](C)N)cn2)c1C.
What is the InChIKey of (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide?
The InChIKey is HLWBAYJJHVFISN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-5-4-6-14(11(10)2)21-15-8-7-13(9-18-15)19-16(20)12(3)17/h4-9,12H,17H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide?
(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 67235654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).