(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C16H20N4O2 — CID 48689832

IUPAC(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC(C)(C)O1
InChIInChI=1S/C16H20N4O2/c1-12-9-20(10-16(2,3)22-12)15(21)13-4-5-14(18-8-13)19-7-6-17-11-19/h4-8,11-12H,9-10H2,1-3H3
InChIKeyONNMKUPTWWTQCH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.91
Rot. Bonds2

About (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48689832) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48689832
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC(C)(C)O1
InChIInChI=1S/C16H20N4O2/c1-12-9-20(10-16(2,3)22-12)15(21)13-4-5-14(18-8-13)19-7-6-17-11-19/h4-8,11-12H,9-10H2,1-3H3
InChIKeyONNMKUPTWWTQCH-UHFFFAOYSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48689832) is (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC(C)(C)O1.
What is the InChIKey of (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is ONNMKUPTWWTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-9-20(10-16(2,3)22-12)15(21)13-4-5-14(18-8-13)19-7-6-17-11-19/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48689832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).