3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine

C19H19N3 — CID 168941486

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC=C(c2c[nH]c3nccc(-c4ccccc4)c23)C1
InChIInChI=1S/C19H19N3/c1-22-11-5-8-15(13-22)17-12-21-19-18(17)16(9-10-20-19)14-6-3-2-4-7-14/h2-4,6-10,12H,5,11,13H2,1H3,(H,20,21)
InChIKeyUTJYALGLSJQUIU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.95
Rot. Bonds2

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

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 168941486) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID168941486
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC=C(c2c[nH]c3nccc(-c4ccccc4)c23)C1
InChIInChI=1S/C19H19N3/c1-22-11-5-8-15(13-22)17-12-21-19-18(17)16(9-10-20-19)14-6-3-2-4-7-14/h2-4,6-10,12H,5,11,13H2,1H3,(H,20,21)
InChIKeyUTJYALGLSJQUIU-UHFFFAOYSA-N
XLogP3.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5311200
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CID 9222
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CID 17751819
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CID 3000181
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CID 11545419
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CID 6603897
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CID 9802572
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 168941486) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine is CN1CCC=C(c2c[nH]c3nccc(-c4ccccc4)c23)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UTJYALGLSJQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-22-11-5-8-15(13-22)17-12-21-19-18(17)16(9-10-20-19)14-6-3-2-4-7-14/h2-4,6-10,12H,5,11,13H2,1H3,(H,20,21).
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 289.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168941486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).