2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C22H18N4O3 — CID 59793967

IUPAC2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2cccc(-c3ccoc3)c2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C22H18N4O3/c1-26-21(28)12-19(15-5-8-23-9-6-15)25-22(26)24-13-20(27)17-4-2-3-16(11-17)18-7-10-29-14-18/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyMRNRCCSBWSXUOZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.40
Rot. Bonds6

About 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59793967) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59793967
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2cccc(-c3ccoc3)c2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C22H18N4O3/c1-26-21(28)12-19(15-5-8-23-9-6-15)25-22(26)24-13-20(27)17-4-2-3-16(11-17)18-7-10-29-14-18/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyMRNRCCSBWSXUOZ-UHFFFAOYSA-N
XLogP3.40
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59793967) is 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCC(=O)c2cccc(-c3ccoc3)c2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is MRNRCCSBWSXUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-26-21(28)12-19(15-5-8-23-9-6-15)25-22(26)24-13-20(27)17-4-2-3-16(11-17)18-7-10-29-14-18/h2-12,14H,13H2,1H3,(H,24,25).
What are the key properties of 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 386.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(furan-3-yl)phenyl]-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59793967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).