3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide

C26H23N7O2 — CID 52943294

IUPAC3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2cccnc2)c1
InChIInChI=1S/C26H23N7O2/c27-14-18-6-4-8-20(12-18)24(34)31-26-30-22-13-21(25(35)32-10-2-1-3-11-32)16-29-23(22)33(26)17-19-7-5-9-28-15-19/h4-9,12-13,15-16H,1-3,10-11,17H2,(H,30,31,34)
InChIKeyDWCIPBPCGAQDTB-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.62
Rot. Bonds5

About 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide

3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52943294) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52943294
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2cccnc2)c1
InChIInChI=1S/C26H23N7O2/c27-14-18-6-4-8-20(12-18)24(34)31-26-30-22-13-21(25(35)32-10-2-1-3-11-32)16-29-23(22)33(26)17-19-7-5-9-28-15-19/h4-9,12-13,15-16H,1-3,10-11,17H2,(H,30,31,34)
InChIKeyDWCIPBPCGAQDTB-UHFFFAOYSA-N
XLogP3.62
TPSA116.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52943294) is 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2cccnc2)c1.
What is the InChIKey of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is DWCIPBPCGAQDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c27-14-18-6-4-8-20(12-18)24(34)31-26-30-22-13-21(25(35)32-10-2-1-3-11-32)16-29-23(22)33(26)17-19-7-5-9-28-15-19/h4-9,12-13,15-16H,1-3,10-11,17H2,(H,30,31,34).
What are the key properties of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 465.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52943294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).