6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile

C19H19N5 — CID 146093163

IUPAC6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)nc1
InChIInChI=1S/C19H19N5/c20-10-14-3-4-16(22-11-14)13-24-8-5-15(6-9-24)18-12-23-19-17(18)2-1-7-21-19/h1-4,7,11-12,15H,5-6,8-9,13H2,(H,21,23)
InChIKeyCQARGPCUWSHWOL-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.21
Rot. Bonds3

About 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile

6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 146093163) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID146093163
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)nc1
InChIInChI=1S/C19H19N5/c20-10-14-3-4-16(22-11-14)13-24-8-5-15(6-9-24)18-12-23-19-17(18)2-1-7-21-19/h1-4,7,11-12,15H,5-6,8-9,13H2,(H,21,23)
InChIKeyCQARGPCUWSHWOL-UHFFFAOYSA-N
XLogP3.21
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile (CID 146093163) is 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)nc1.
What is the InChIKey of 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is CQARGPCUWSHWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c20-10-14-3-4-16(22-11-14)13-24-8-5-15(6-9-24)18-12-23-19-17(18)2-1-7-21-19/h1-4,7,11-12,15H,5-6,8-9,13H2,(H,21,23).
What are the key properties of 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile?
6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146093163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).