(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride

C16H21Cl2N3O2 — CID 119849043

IUPAC(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)[C@@H](C)N)cn2)cc1C.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-10-4-6-14(8-11(10)2)21-15-7-5-13(9-18-15)19-16(20)12(3)17;;/h4-9,12H,17H2,1-3H3,(H,19,20);2*1H/t12-;;/m1../s1
InChIKeyRFWBDQAPSLRPAJ-CURYUGHLSA-N
MW358.27 g/mol
LogP3.62
Rot. Bonds4

About (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride

(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride (PubChem CID 119849043) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
PubChem CID119849043
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)[C@@H](C)N)cn2)cc1C.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-10-4-6-14(8-11(10)2)21-15-7-5-13(9-18-15)19-16(20)12(3)17;;/h4-9,12H,17H2,1-3H3,(H,19,20);2*1H/t12-;;/m1../s1
InChIKeyRFWBDQAPSLRPAJ-CURYUGHLSA-N
XLogP3.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea
CID 75456153
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
CID 77479086
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride (CID 119849043) is (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride is Cc1ccc(Oc2ccc(NC(=O)[C@@H](C)N)cn2)cc1C.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride?
The InChIKey is RFWBDQAPSLRPAJ-CURYUGHLSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-10-4-6-14(8-11(10)2)21-15-7-5-13(9-18-15)19-16(20)12(3)17;;/h4-9,12H,17H2,1-3H3,(H,19,20);2*1H/t12-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.62, 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-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride is sourced from PubChem (CID 119849043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).