2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C17H14N4O3 — CID 58349295

IUPAC2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCOc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1
InChIInChI=1S/C17H14N4O3/c1-23-13-2-4-20-12(6-13)7-17(22)16-8-14(3-5-21-16)24-15-9-18-11-19-10-15/h2-6,8-11H,7H2,1H3
InChIKeyHAVQHSPHQFMNNJ-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.49
Rot. Bonds6

About 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349295) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349295
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCOc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1
InChIInChI=1S/C17H14N4O3/c1-23-13-2-4-20-12(6-13)7-17(22)16-8-14(3-5-21-16)24-15-9-18-11-19-10-15/h2-6,8-11H,7H2,1H3
InChIKeyHAVQHSPHQFMNNJ-UHFFFAOYSA-N
XLogP2.49
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123760741
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349291
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349254
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 149081483
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
CID 83875685
2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
CID 58349293

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349295) is 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is COc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.
What is the InChIKey of 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is HAVQHSPHQFMNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-23-13-2-4-20-12(6-13)7-17(22)16-8-14(3-5-21-16)24-15-9-18-11-19-10-15/h2-6,8-11H,7H2,1H3.
What are the key properties of 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 322.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).