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

C17H21N3 — CID 170382179

IUPAC3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1C=C(c2c[nH]c3ncccc23)CN(C2CCC2)C1
InChIInChI=1S/C17H21N3/c1-12-8-13(11-20(10-12)14-4-2-5-14)16-9-19-17-15(16)6-3-7-18-17/h3,6-9,12,14H,2,4-5,10-11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBORRWROHSZOMDU-LBPRGKRZSA-N
MW267.38 g/mol
LogP3.45
Rot. Bonds2

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

3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170382179) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID170382179
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1C=C(c2c[nH]c3ncccc23)CN(C2CCC2)C1
InChIInChI=1S/C17H21N3/c1-12-8-13(11-20(10-12)14-4-2-5-14)16-9-19-17-15(16)6-3-7-18-17/h3,6-9,12,14H,2,4-5,10-11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBORRWROHSZOMDU-LBPRGKRZSA-N
XLogP3.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 170382179) is 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is C[C@H]1C=C(c2c[nH]c3ncccc23)CN(C2CCC2)C1.
What is the InChIKey of 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BORRWROHSZOMDU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-8-13(11-20(10-12)14-4-2-5-14)16-9-19-17-15(16)6-3-7-18-17/h3,6-9,12,14H,2,4-5,10-11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 267.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170382179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).