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

C24H26N6O3 — CID 52947752

IUPAC3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C24H26N6O3/c1-33-12-6-11-30-21-20(14-19(16-26-21)23(32)29-9-3-2-4-10-29)27-24(30)28-22(31)18-8-5-7-17(13-18)15-25/h5,7-8,13-14,16H,2-4,6,9-12H2,1H3,(H,27,28,31)
InChIKeyVIIZMGFLBGQTJB-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.22
Rot. Bonds7

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

3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52947752) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52947752
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C24H26N6O3/c1-33-12-6-11-30-21-20(14-19(16-26-21)23(32)29-9-3-2-4-10-29)27-24(30)28-22(31)18-8-5-7-17(13-18)15-25/h5,7-8,13-14,16H,2-4,6,9-12H2,1H3,(H,27,28,31)
InChIKeyVIIZMGFLBGQTJB-UHFFFAOYSA-N
XLogP3.22
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52947752) is 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is VIIZMGFLBGQTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-33-12-6-11-30-21-20(14-19(16-26-21)23(32)29-9-3-2-4-10-29)27-24(30)28-22(31)18-8-5-7-17(13-18)15-25/h5,7-8,13-14,16H,2-4,6,9-12H2,1H3,(H,27,28,31).
What are the key properties of 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52947752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).