2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide

C27H32N4O2 — CID 11328249

IUPAC2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESC[C@H](Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](O)c1ccc(N)nc1
InChIInChI=1S/C27H32N4O2/c1-18(29-17-25(32)23-9-10-26(28)30-16-23)11-19-5-4-6-20(12-19)13-27(33)31-24-14-21-7-2-3-8-22(21)15-24/h2-10,12,16,18,24-25,29,32H,11,13-15,17H2,1H3,(H2,28,30)(H,31,33)/t18-,25+/m1/s1
InChIKeyHLUFJKVIOGXFLE-CJAUYULYSA-N
MW444.58 g/mol
LogP2.74
Rot. Bonds9

About 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide

2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 11328249) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID11328249
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESC[C@H](Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](O)c1ccc(N)nc1
InChIInChI=1S/C27H32N4O2/c1-18(29-17-25(32)23-9-10-26(28)30-16-23)11-19-5-4-6-20(12-19)13-27(33)31-24-14-21-7-2-3-8-22(21)15-24/h2-10,12,16,18,24-25,29,32H,11,13-15,17H2,1H3,(H2,28,30)(H,31,33)/t18-,25+/m1/s1
InChIKeyHLUFJKVIOGXFLE-CJAUYULYSA-N
XLogP2.74
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 11328249) is 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide is C[C@H](Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](O)c1ccc(N)nc1.
What is the InChIKey of 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is HLUFJKVIOGXFLE-CJAUYULYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-18(29-17-25(32)23-9-10-26(28)30-16-23)11-19-5-4-6-20(12-19)13-27(33)31-24-14-21-7-2-3-8-22(21)15-24/h2-10,12,16,18,24-25,29,32H,11,13-15,17H2,1H3,(H2,28,30)(H,31,33)/t18-,25+/m1/s1.
What are the key properties of 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 2.74, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 11328249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).