N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide

C24H25N7O3 — CID 52940891

IUPACN-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide
SMILESCC(=O)NCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C24H25N7O3/c1-16(32)26-8-11-31-21-20(13-19(15-27-21)23(34)30-9-3-2-4-10-30)28-24(31)29-22(33)18-7-5-6-17(12-18)14-25/h5-7,12-13,15H,2-4,8-11H2,1H3,(H,26,32)(H,28,29,33)
InChIKeyAZCQIBQLGCJUFA-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.32
Rot. Bonds6

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

N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide (PubChem CID 52940891) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide
PubChem CID52940891
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide
SMILESCC(=O)NCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C24H25N7O3/c1-16(32)26-8-11-31-21-20(13-19(15-27-21)23(34)30-9-3-2-4-10-30)28-24(31)29-22(33)18-7-5-6-17(12-18)14-25/h5-7,12-13,15H,2-4,8-11H2,1H3,(H,26,32)(H,28,29,33)
InChIKeyAZCQIBQLGCJUFA-UHFFFAOYSA-N
XLogP2.32
TPSA133.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide?
The IUPAC name of N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide (CID 52940891) is N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide?
The canonical SMILES for N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide is CC(=O)NCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide?
The InChIKey is AZCQIBQLGCJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-16(32)26-8-11-31-21-20(13-19(15-27-21)23(34)30-9-3-2-4-10-30)28-24(31)29-22(33)18-7-5-6-17(12-18)14-25/h5-7,12-13,15H,2-4,8-11H2,1H3,(H,26,32)(H,28,29,33).
What are the key properties of N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide?
N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide has a molecular weight of 459.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]-3-cyanobenzamide is sourced from PubChem (CID 52940891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).