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

C28H34N4O2 — CID 11190355

IUPAC2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCC(C)(Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](O)c1ccc(N)nc1
InChIInChI=1S/C28H34N4O2/c1-28(2,31-18-25(33)23-10-11-26(29)30-17-23)16-20-7-5-6-19(12-20)13-27(34)32-24-14-21-8-3-4-9-22(21)15-24/h3-12,17,24-25,31,33H,13-16,18H2,1-2H3,(H2,29,30)(H,32,34)/t25-/m0/s1
InChIKeyLQBJKTDDUSJZEW-VWLOTQADSA-N
MW458.61 g/mol
LogP3.13
Rot. Bonds9

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

2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 11190355) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID11190355
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCC(C)(Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](O)c1ccc(N)nc1
InChIInChI=1S/C28H34N4O2/c1-28(2,31-18-25(33)23-10-11-26(29)30-17-23)16-20-7-5-6-19(12-20)13-27(34)32-24-14-21-8-3-4-9-22(21)15-24/h3-12,17,24-25,31,33H,13-16,18H2,1-2H3,(H2,29,30)(H,32,34)/t25-/m0/s1
InChIKeyLQBJKTDDUSJZEW-VWLOTQADSA-N
XLogP3.13
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 11190355) is 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide is CC(C)(Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](O)c1ccc(N)nc1.
What is the InChIKey of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is LQBJKTDDUSJZEW-VWLOTQADSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-28(2,31-18-25(33)23-10-11-26(29)30-17-23)16-20-7-5-6-19(12-20)13-27(34)32-24-14-21-8-3-4-9-22(21)15-24/h3-12,17,24-25,31,33H,13-16,18H2,1-2H3,(H2,29,30)(H,32,34)/t25-/m0/s1.
What are the key properties of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 458.61 g/mol, XLogP of 3.13, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 11190355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).