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

C25H28N6O2 — CID 52943279

IUPAC3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCCCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C25H28N6O2/c1-2-3-5-13-31-22-21(15-20(17-27-22)24(33)30-11-6-4-7-12-30)28-25(31)29-23(32)19-10-8-9-18(14-19)16-26/h8-10,14-15,17H,2-7,11-13H2,1H3,(H,28,29,32)
InChIKeyDKWNMYDVXCDZAI-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.37
Rot. Bonds7

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

3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52943279) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52943279
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCCCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C25H28N6O2/c1-2-3-5-13-31-22-21(15-20(17-27-22)24(33)30-11-6-4-7-12-30)28-25(31)29-23(32)19-10-8-9-18(14-19)16-26/h8-10,14-15,17H,2-7,11-13H2,1H3,(H,28,29,32)
InChIKeyDKWNMYDVXCDZAI-UHFFFAOYSA-N
XLogP4.37
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52943279) is 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is CCCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is DKWNMYDVXCDZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-2-3-5-13-31-22-21(15-20(17-27-22)24(33)30-11-6-4-7-12-30)28-25(31)29-23(32)19-10-8-9-18(14-19)16-26/h8-10,14-15,17H,2-7,11-13H2,1H3,(H,28,29,32).
What are the key properties of 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-pentyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52943279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).