(2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol

C24H38N4O2 — CID 155538033

IUPAC(2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)C[C@H](O)CO
InChIInChI=1S/C24H38N4O2/c1-4-15-27(16-5-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-6-3)18-20(30)19-29/h7-14,20,23-24,29-30H,4-6,15-19H2,1-3H3/t20-,23+,24+/m0/s1
InChIKeyARIVZVAHCXZRND-TUACAJSNSA-N
MW414.59 g/mol
LogP3.45
Rot. Bonds14

About (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol

(2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol (PubChem CID 155538033) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol
PubChem CID155538033
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name(2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)C[C@H](O)CO
InChIInChI=1S/C24H38N4O2/c1-4-15-27(16-5-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-6-3)18-20(30)19-29/h7-14,20,23-24,29-30H,4-6,15-19H2,1-3H3/t20-,23+,24+/m0/s1
InChIKeyARIVZVAHCXZRND-TUACAJSNSA-N
XLogP3.45
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol (CID 155538033) is (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol is CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)C[C@H](O)CO.
What is the InChIKey of (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol?
The InChIKey is ARIVZVAHCXZRND-TUACAJSNSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-4-15-27(16-5-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-6-3)18-20(30)19-29/h7-14,20,23-24,29-30H,4-6,15-19H2,1-3H3/t20-,23+,24+/m0/s1.
What are the key properties of (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol?
(2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol has a molecular weight of 414.59 g/mol, XLogP of 3.45, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-propylamino]propane-1,2-diol is sourced from PubChem (CID 155538033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).