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

C23H24N6O3 — CID 52942091

IUPAC3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2CCCO)c1
InChIInChI=1S/C23H24N6O3/c24-14-16-6-4-7-17(12-16)21(31)27-23-26-19-13-18(22(32)28-8-2-1-3-9-28)15-25-20(19)29(23)10-5-11-30/h4,6-7,12-13,15,30H,1-3,5,8-11H2,(H,26,27,31)
InChIKeyZVHIVGFNGBBJMU-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.56
Rot. Bonds6

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

3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52942091) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52942091
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2CCCO)c1
InChIInChI=1S/C23H24N6O3/c24-14-16-6-4-7-17(12-16)21(31)27-23-26-19-13-18(22(32)28-8-2-1-3-9-28)15-25-20(19)29(23)10-5-11-30/h4,6-7,12-13,15,30H,1-3,5,8-11H2,(H,26,27,31)
InChIKeyZVHIVGFNGBBJMU-UHFFFAOYSA-N
XLogP2.56
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52942091) is 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2CCCO)c1.
What is the InChIKey of 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is ZVHIVGFNGBBJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c24-14-16-6-4-7-17(12-16)21(31)27-23-26-19-13-18(22(32)28-8-2-1-3-9-28)15-25-20(19)29(23)10-5-11-30/h4,6-7,12-13,15,30H,1-3,5,8-11H2,(H,26,27,31).
What are the key properties of 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52942091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).