4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile

C20H18N4O — CID 156811294

IUPAC4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C20H18N4O/c21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23/h4-8,11-12,14H,1-3,9-10H2
InChIKeyAJDOHMFWCVPSQE-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.52
Rot. Bonds2

About 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile

4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile (PubChem CID 156811294) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
PubChem CID156811294
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C20H18N4O/c21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23/h4-8,11-12,14H,1-3,9-10H2
InChIKeyAJDOHMFWCVPSQE-UHFFFAOYSA-N
XLogP3.52
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810735
[1-(6-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811222
[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 164969812
[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]boronic acid
CID 167448824
[1-(3-methylsulfinylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 178044013
azepan-1-yl-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167448880
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-oxo-1H-pyridine-3-carbonitrile
CID 156811018
carbon dioxide;[(3S)-3-methylpiperidin-1-yl]-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)methanone;sulfane
CID 165105605
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082

Frequently Asked Questions

What is the IUPAC name of 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
The IUPAC name of 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile (CID 156811294) is 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile.
What is the SMILES notation for 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
The canonical SMILES for 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile is N#Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.
What is the InChIKey of 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
The InChIKey is AJDOHMFWCVPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23/h4-8,11-12,14H,1-3,9-10H2.
What are the key properties of 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile has a molecular weight of 330.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 156811294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).