(2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol

C16H23N3O2 — CID 11551021

IUPAC(2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol
SMILESCc1ccc(C)n1-c1ccc(C(O)CN[C@@H](C)CO)cn1
InChIInChI=1S/C16H23N3O2/c1-11(10-20)17-9-15(21)14-6-7-16(18-8-14)19-12(2)4-5-13(19)3/h4-8,11,15,17,20-21H,9-10H2,1-3H3/t11-,15?/m0/s1
InChIKeyARMRUYCLGGELRB-VPHXOMNUSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds6

About (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol

(2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol (PubChem CID 11551021) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol
PubChem CID11551021
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol
SMILESCc1ccc(C)n1-c1ccc(C(O)CN[C@@H](C)CO)cn1
InChIInChI=1S/C16H23N3O2/c1-11(10-20)17-9-15(21)14-6-7-16(18-8-14)19-12(2)4-5-13(19)3/h4-8,11,15,17,20-21H,9-10H2,1-3H3/t11-,15?/m0/s1
InChIKeyARMRUYCLGGELRB-VPHXOMNUSA-N
XLogP1.49
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol (CID 11551021) is (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol is Cc1ccc(C)n1-c1ccc(C(O)CN[C@@H](C)CO)cn1.
What is the InChIKey of (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol?
The InChIKey is ARMRUYCLGGELRB-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(10-20)17-9-15(21)14-6-7-16(18-8-14)19-12(2)4-5-13(19)3/h4-8,11,15,17,20-21H,9-10H2,1-3H3/t11-,15?/m0/s1.
What are the key properties of (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol?
(2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]propan-1-ol is sourced from PubChem (CID 11551021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).