1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C16H22N4O — CID 164818381

IUPAC1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESCC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C)CC1C
InChIInChI=1S/C16H22N4O/c1-10-9-20(3)7-5-14(10)19-15-12-4-6-17-16(12)18-8-13(15)11(2)21/h4,6,8,10,14H,5,7,9H2,1-3H3,(H2,17,18,19)/t10?,14-/m1/s1
InChIKeyVSRFALWTKSCRLG-LNUXAPHWSA-N
MW286.38 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 164818381) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
PubChem CID164818381
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESCC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C)CC1C
InChIInChI=1S/C16H22N4O/c1-10-9-20(3)7-5-14(10)19-15-12-4-6-17-16(12)18-8-13(15)11(2)21/h4,6,8,10,14H,5,7,9H2,1-3H3,(H2,17,18,19)/t10?,14-/m1/s1
InChIKeyVSRFALWTKSCRLG-LNUXAPHWSA-N
XLogP2.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 164818381) is 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is CC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C)CC1C.
What is the InChIKey of 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is VSRFALWTKSCRLG-LNUXAPHWSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-9-20(3)7-5-14(10)19-15-12-4-6-17-16(12)18-8-13(15)11(2)21/h4,6,8,10,14H,5,7,9H2,1-3H3,(H2,17,18,19)/t10?,14-/m1/s1.
What are the key properties of 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 164818381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).