methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

C21H15FN4O4 — CID 6621321

IUPACmethyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C21H15FN4O4/c1-30-20(28)15-8-5-11-24-18(15)26-19(27)14-7-4-10-23-17(14)25(21(26)29)12-13-6-2-3-9-16(13)22/h2-11H,12H2,1H3
InChIKeyXWBKYQARPFKZCZ-UHFFFAOYSA-N
MW406.37 g/mol
LogP1.92
Rot. Bonds4

About methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (PubChem CID 6621321) has the molecular formula C21H15FN4O4 and a molecular weight of 406.37 g/mol. Its IUPAC name is methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
PubChem CID6621321
Molecular FormulaC21H15FN4O4
Molecular Weight406.37 g/mol
Exact Mass406.11
IUPAC Namemethyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C21H15FN4O4/c1-30-20(28)15-8-5-11-24-18(15)26-19(27)14-7-4-10-23-17(14)25(21(26)29)12-13-6-2-3-9-16(13)22/h2-11H,12H2,1H3
InChIKeyXWBKYQARPFKZCZ-UHFFFAOYSA-N
XLogP1.92
TPSA96.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

FG 5893
CID 127728
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
Methyl 2-[1-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 3238339
Methyl 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988226
3-[(3-Benzyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyrimidin)-1-yl]benzoic acid methyl ester
CID 9930122
2-{4-[4-(4,4-Dimethyl-2,6-dioxo-piperidin-1-yl)-butyl]-piperazin-1-yl}-nicotinic acid methyl ester
CID 13771043
Ethyl 2-(benzoylamino)nicotinate
CID 302495
Propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 1483238
Isopropyl 2-[4-(4-fluorophenyl)piperazino]nicotinate
CID 4434846
Methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 4640398
Methyl 3-[3-(cyclopentylmethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 14442119
methyl 2-[1-(4-nitrobenzyl)-2,4-dioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]nicotinate
CID 16195377

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (CID 6621321) is methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The InChIKey is XWBKYQARPFKZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O4/c1-30-20(28)15-8-5-11-24-18(15)26-19(27)14-7-4-10-23-17(14)25(21(26)29)12-13-6-2-3-9-16(13)22/h2-11H,12H2,1H3.
What are the key properties of methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate has a molecular weight of 406.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 6621321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).