2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine

C21H24N4O2 — CID 129246649

IUPAC2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine
SMILESCOCCOc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)CCNC2
InChIInChI=1S/C21H24N4O2/c1-26-11-12-27-19-14-23-10-8-17(19)21-20(24-15-5-3-2-4-6-15)16-7-9-22-13-18(16)25-21/h2-6,8,10,14,22,24-25H,7,9,11-13H2,1H3
InChIKeyVOXDRUQKLYZWHG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.49
Rot. Bonds7

About 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine

2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine (PubChem CID 129246649) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine
PubChem CID129246649
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine
SMILESCOCCOc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)CCNC2
InChIInChI=1S/C21H24N4O2/c1-26-11-12-27-19-14-23-10-8-17(19)21-20(24-15-5-3-2-4-6-15)16-7-9-22-13-18(16)25-21/h2-6,8,10,14,22,24-25H,7,9,11-13H2,1H3
InChIKeyVOXDRUQKLYZWHG-UHFFFAOYSA-N
XLogP3.49
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine?
The IUPAC name of 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine (CID 129246649) is 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine is COCCOc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)CCNC2.
What is the InChIKey of 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine?
The InChIKey is VOXDRUQKLYZWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-11-12-27-19-14-23-10-8-17(19)21-20(24-15-5-3-2-4-6-15)16-7-9-22-13-18(16)25-21/h2-6,8,10,14,22,24-25H,7,9,11-13H2,1H3.
What are the key properties of 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine?
2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine has a molecular weight of 364.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 129246649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).