ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C20H35N3 — CID 91019728

IUPACethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.CCN1CC=C(c2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C14H17N3.3C2H6/c1-2-17-7-4-11(5-8-17)13-9-12-3-6-15-14(12)16-10-13;3*1-2/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,15,16);3*1-2H3
InChIKeyOPMBRALSOUCZLL-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.75
Rot. Bonds2

About ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 91019728) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID91019728
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Nameethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.CCN1CC=C(c2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C14H17N3.3C2H6/c1-2-17-7-4-11(5-8-17)13-9-12-3-6-15-14(12)16-10-13;3*1-2/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,15,16);3*1-2H3
InChIKeyOPMBRALSOUCZLL-UHFFFAOYSA-N
XLogP5.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 91019728) is ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CC.CC.CC.CCN1CC=C(c2cnc3[nH]ccc3c2)CC1.
What is the InChIKey of ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OPMBRALSOUCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.3C2H6/c1-2-17-7-4-11(5-8-17)13-9-12-3-6-15-14(12)16-10-13;3*1-2/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,15,16);3*1-2H3.
What are the key properties of ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 317.52 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91019728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).