3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine

C20H22N4 — CID 11099200

IUPAC3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESNc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2n1
InChIInChI=1S/C20H22N4/c21-19-7-6-18-20(23-19)17(14-22-18)16-9-12-24(13-10-16)11-8-15-4-2-1-3-5-15/h1-7,9,14,22H,8,10-13H2,(H2,21,23)
InChIKeyIWJYBYJQJDVZJQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.48
Rot. Bonds4

About 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine

3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 11099200) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine
PubChem CID11099200
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESNc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2n1
InChIInChI=1S/C20H22N4/c21-19-7-6-18-20(23-19)17(14-22-18)16-9-12-24(13-10-16)11-8-15-4-2-1-3-5-15/h1-7,9,14,22H,8,10-13H2,(H2,21,23)
InChIKeyIWJYBYJQJDVZJQ-UHFFFAOYSA-N
XLogP3.48
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine?
The IUPAC name of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine (CID 11099200) is 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine.
What is the SMILES notation for 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine?
The canonical SMILES for 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine is Nc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2n1.
What is the InChIKey of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is IWJYBYJQJDVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c21-19-7-6-18-20(23-19)17(14-22-18)16-9-12-24(13-10-16)11-8-15-4-2-1-3-5-15/h1-7,9,14,22H,8,10-13H2,(H2,21,23).
What are the key properties of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine?
3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 318.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 11099200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).