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

C21H20N6O2 — CID 52948144

IUPAC3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H20N6O2/c1-26-18-17(11-16(13-23-18)20(29)27-8-3-2-4-9-27)24-21(26)25-19(28)15-7-5-6-14(10-15)12-22/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,24,25,28)
InChIKeyONCNWPWUTVFFGP-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.72
Rot. Bonds3

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

3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52948144) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52948144
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H20N6O2/c1-26-18-17(11-16(13-23-18)20(29)27-8-3-2-4-9-27)24-21(26)25-19(28)15-7-5-6-14(10-15)12-22/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,24,25,28)
InChIKeyONCNWPWUTVFFGP-UHFFFAOYSA-N
XLogP2.72
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52948144) is 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is Cn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is ONCNWPWUTVFFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26-18-17(11-16(13-23-18)20(29)27-8-3-2-4-9-27)24-21(26)25-19(28)15-7-5-6-14(10-15)12-22/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,24,25,28).
What are the key properties of 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-methyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52948144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).