(2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol

C24H38N4O2 — CID 155540433

IUPAC(2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(C[C@@H](C)O)C[C@@H](C)O
InChIInChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-19(3)29)18-20(4)30/h7-14,19-20,23-24,29-30H,5-6,15-18H2,1-4H3/t19-,20-,23-,24-/m1/s1
InChIKeyPDVNYVUUBZYCKV-FAYOUJPWSA-N
MW414.59 g/mol
LogP3.44
Rot. Bonds13

About (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol

(2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 155540433) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID155540433
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name(2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(C[C@@H](C)O)C[C@@H](C)O
InChIInChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-19(3)29)18-20(4)30/h7-14,19-20,23-24,29-30H,5-6,15-18H2,1-4H3/t19-,20-,23-,24-/m1/s1
InChIKeyPDVNYVUUBZYCKV-FAYOUJPWSA-N
XLogP3.44
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol (CID 155540433) is (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol is CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(C[C@@H](C)O)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is PDVNYVUUBZYCKV-FAYOUJPWSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-19(3)29)18-20(4)30/h7-14,19-20,23-24,29-30H,5-6,15-18H2,1-4H3/t19-,20-,23-,24-/m1/s1.
What are the key properties of (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
(2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 414.59 g/mol, XLogP of 3.44, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 155540433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).