N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane

C20H30N4O2 — CID 159448450

IUPACN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane
SMILESC.Cc1ccc2nc(NC(=O)C[C@@H]3CCC(C)(C)O3)n(C3CCC3)c2n1
InChIInChI=1S/C19H26N4O2.CH4/c1-12-7-8-15-17(20-12)23(13-5-4-6-13)18(21-15)22-16(24)11-14-9-10-19(2,3)25-14;/h7-8,13-14H,4-6,9-11H2,1-3H3,(H,21,22,24);1H4/t14-;/m0./s1
InChIKeyLTBGHILDNKYXFU-UQKRIMTDSA-N
MW358.49 g/mol
LogP4.39
Rot. Bonds4

About N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane

N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane (PubChem CID 159448450) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane.

Molecular Properties

Compound NameN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane
PubChem CID159448450
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane
SMILESC.Cc1ccc2nc(NC(=O)C[C@@H]3CCC(C)(C)O3)n(C3CCC3)c2n1
InChIInChI=1S/C19H26N4O2.CH4/c1-12-7-8-15-17(20-12)23(13-5-4-6-13)18(21-15)22-16(24)11-14-9-10-19(2,3)25-14;/h7-8,13-14H,4-6,9-11H2,1-3H3,(H,21,22,24);1H4/t14-;/m0./s1
InChIKeyLTBGHILDNKYXFU-UQKRIMTDSA-N
XLogP4.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane?
The IUPAC name of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane (CID 159448450) is N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane.
What is the SMILES notation for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane?
The canonical SMILES for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane is C.Cc1ccc2nc(NC(=O)C[C@@H]3CCC(C)(C)O3)n(C3CCC3)c2n1.
What is the InChIKey of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane?
The InChIKey is LTBGHILDNKYXFU-UQKRIMTDSA-N. The full InChI is InChI=1S/C19H26N4O2.CH4/c1-12-7-8-15-17(20-12)23(13-5-4-6-13)18(21-15)22-16(24)11-14-9-10-19(2,3)25-14;/h7-8,13-14H,4-6,9-11H2,1-3H3,(H,21,22,24);1H4/t14-;/m0./s1.
What are the key properties of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane?
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane has a molecular weight of 358.49 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane is sourced from PubChem (CID 159448450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).