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

C13H15N3 — CID 168941722

IUPAC4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2[nH]cc(C3=CCCNC3)c12
InChIInChI=1S/C13H15N3/c1-9-4-6-15-13-12(9)11(8-16-13)10-3-2-5-14-7-10/h3-4,6,8,14H,2,5,7H2,1H3,(H,15,16)
InChIKeyBLYYGURLLLSGDL-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.25
Rot. Bonds1

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

4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 168941722) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID168941722
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2[nH]cc(C3=CCCNC3)c12
InChIInChI=1S/C13H15N3/c1-9-4-6-15-13-12(9)11(8-16-13)10-3-2-5-14-7-10/h3-4,6,8,14H,2,5,7H2,1H3,(H,15,16)
InChIKeyBLYYGURLLLSGDL-UHFFFAOYSA-N
XLogP2.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 168941722) is 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccnc2[nH]cc(C3=CCCNC3)c12.
What is the InChIKey of 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BLYYGURLLLSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-4-6-15-13-12(9)11(8-16-13)10-3-2-5-14-7-10/h3-4,6,8,14H,2,5,7H2,1H3,(H,15,16).
What are the key properties of 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168941722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).