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

C19H16N4O2 — CID 164856063

IUPAC4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile
SMILESCc1cc(OCc2ncccn2)cc(=O)n1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H16N4O2/c1-14-9-17(25-13-18-21-7-2-8-22-18)10-19(24)23(14)12-16-5-3-15(11-20)4-6-16/h2-10H,12-13H2,1H3
InChIKeyOCFWRIKHAARKFH-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.45
Rot. Bonds5

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

4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile (PubChem CID 164856063) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile
PubChem CID164856063
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile
SMILESCc1cc(OCc2ncccn2)cc(=O)n1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H16N4O2/c1-14-9-17(25-13-18-21-7-2-8-22-18)10-19(24)23(14)12-16-5-3-15(11-20)4-6-16/h2-10H,12-13H2,1H3
InChIKeyOCFWRIKHAARKFH-UHFFFAOYSA-N
XLogP2.45
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile
CID 164856062
6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 170763377
1-[[4-[3-(benzylamino)prop-1-ynyl]phenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 164856141
1-[[4-(5-hydroxypentoxy)phenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 170763267
1-[2-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;ethane
CID 164856529
acetylene;1-[[4-[3-(3,3-dimethylazetidin-1-yl)prop-1-ynyl]phenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 164856211
4-[(1R)-1-[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]ethyl]benzonitrile
CID 167175821
1-[[6-(2-cyclopropylethynyl)-3-pyridinyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;ethane
CID 164856016
1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 164856066
acetylene;1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-5,6-dimethyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 170763366
2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]acetaldehyde
CID 170763199
4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
CID 39768352

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile?
The IUPAC name of 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile (CID 164856063) is 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile is Cc1cc(OCc2ncccn2)cc(=O)n1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile?
The InChIKey is OCFWRIKHAARKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-14-9-17(25-13-18-21-7-2-8-22-18)10-19(24)23(14)12-16-5-3-15(11-20)4-6-16/h2-10H,12-13H2,1H3.
What are the key properties of 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile?
4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile has a molecular weight of 332.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile is sourced from PubChem (CID 164856063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).