N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C16H21ClN4O2 — CID 86290780

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C16H21ClN4O2/c1-16(2,3)23-9-13(22)20-15-18-11-7-8-12(17)19-14(11)21(15)10-5-4-6-10/h7-8,10H,4-6,9H2,1-3H3,(H,18,20,22)
InChIKeyPBRAFEOWXMRNHW-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.56
Rot. Bonds4

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 86290780) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID86290780
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C16H21ClN4O2/c1-16(2,3)23-9-13(22)20-15-18-11-7-8-12(17)19-14(11)21(15)10-5-4-6-10/h7-8,10H,4-6,9H2,1-3H3,(H,18,20,22)
InChIKeyPBRAFEOWXMRNHW-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 86290780) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is PBRAFEOWXMRNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-16(2,3)23-9-13(22)20-15-18-11-7-8-12(17)19-14(11)21(15)10-5-4-6-10/h7-8,10H,4-6,9H2,1-3H3,(H,18,20,22).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 336.82 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 86290780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).