N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide

C22H27ClN4O — CID 14390306

IUPACN,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C22H27ClN4O/c1-3-5-14-26(15-6-4-2)20(28)16-27-21(17-9-11-18(23)12-10-17)25-19-8-7-13-24-22(19)27/h7-13H,3-6,14-16H2,1-2H3
InChIKeySCGNUORQJVLLNV-UHFFFAOYSA-N
MW398.94 g/mol
LogP5.18
Rot. Bonds9

About N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide

N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 14390306) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID14390306
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C22H27ClN4O/c1-3-5-14-26(15-6-4-2)20(28)16-27-21(17-9-11-18(23)12-10-17)25-19-8-7-13-24-22(19)27/h7-13H,3-6,14-16H2,1-2H3
InChIKeySCGNUORQJVLLNV-UHFFFAOYSA-N
XLogP5.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.94
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide (CID 14390306) is N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide is CCCCN(CCCC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is SCGNUORQJVLLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c1-3-5-14-26(15-6-4-2)20(28)16-27-21(17-9-11-18(23)12-10-17)25-19-8-7-13-24-22(19)27/h7-13H,3-6,14-16H2,1-2H3.
What are the key properties of N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 398.94 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 14390306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).