4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile

C20H18N4O2 — CID 167175821

IUPAC4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile
SMILESCc1cc(OCc2ncccn2)cc(=O)n1[C@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-14-10-18(26-13-19-22-8-3-9-23-19)11-20(25)24(14)15(2)17-6-4-16(12-21)5-7-17/h3-11,15H,13H2,1-2H3/t15-/m1/s1
InChIKeyWJFJTQCNYQLZBM-OAHLLOKOSA-N
MW346.39 g/mol
LogP3.01
Rot. Bonds5

About 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile

4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile (PubChem CID 167175821) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile
PubChem CID167175821
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile
SMILESCc1cc(OCc2ncccn2)cc(=O)n1[C@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-14-10-18(26-13-19-22-8-3-9-23-19)11-20(25)24(14)15(2)17-6-4-16(12-21)5-7-17/h3-11,15H,13H2,1-2H3/t15-/m1/s1
InChIKeyWJFJTQCNYQLZBM-OAHLLOKOSA-N
XLogP3.01
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile with MolForge

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Related Compounds

6-methyl-1-[(1R)-1-phenylethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 167175771
6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 167175754
4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile
CID 164856063
ethane;4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile
CID 164856062
1-[1-[5-(2-cyclopropylethynyl)pyrimidin-2-yl]ethyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 164856645
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-(pyrimidin-4-ylmethoxy)pyridin-2-one;propane
CID 164856459
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-(1,3-thiazol-5-ylmethoxy)pyridin-2-one
CID 164856189
1-[(1S)-1-[4-[3-[benzyl(methyl)amino]prop-1-ynyl]phenyl]ethyl]-4-(cyclohexylmethoxy)-6-methylpyridin-2-one
CID 164856085
6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 170763377
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-[[(3R)-oxan-3-yl]methoxy]pyridin-2-one
CID 167420565
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-methylpyridin-2-one
CID 164856070
6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one
CID 170763292

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile?
The IUPAC name of 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile (CID 167175821) is 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile?
The canonical SMILES for 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile is Cc1cc(OCc2ncccn2)cc(=O)n1[C@H](C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile?
The InChIKey is WJFJTQCNYQLZBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-10-18(26-13-19-22-8-3-9-23-19)11-20(25)24(14)15(2)17-6-4-16(12-21)5-7-17/h3-11,15H,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile?
4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile is sourced from PubChem (CID 167175821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).