5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine

C21H26N4O2 — CID 153376615

IUPAC5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cc(CC2CCCN(Cc3ccc4oc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C21H26N4O2/c1-14-9-17(11-20(22-14)26-3)10-16-5-4-8-25(12-16)13-18-6-7-19-21(24-18)23-15(2)27-19/h6-7,9,11,16H,4-5,8,10,12-13H2,1-3H3
InChIKeyNRYNWGWFHVOTQG-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.70
Rot. Bonds5

About 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine

5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 153376615) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID153376615
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cc(CC2CCCN(Cc3ccc4oc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C21H26N4O2/c1-14-9-17(11-20(22-14)26-3)10-16-5-4-8-25(12-16)13-18-6-7-19-21(24-18)23-15(2)27-19/h6-7,9,11,16H,4-5,8,10,12-13H2,1-3H3
InChIKeyNRYNWGWFHVOTQG-UHFFFAOYSA-N
XLogP3.70
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,8-naphthyridine
CID 146288677
2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine
CID 146287948
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
CID 146287766
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 146287833
4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288297
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 82888686
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 63987091
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine (CID 153376615) is 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine is COc1cc(CC2CCCN(Cc3ccc4oc(C)nc4n3)C2)cc(C)n1.
What is the InChIKey of 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is NRYNWGWFHVOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-9-17(11-20(22-14)26-3)10-16-5-4-8-25(12-16)13-18-6-7-19-21(24-18)23-15(2)27-19/h6-7,9,11,16H,4-5,8,10,12-13H2,1-3H3.
What are the key properties of 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 366.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 153376615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).