3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

C18H16F2N4O3 — CID 55607526

IUPAC3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCn1c(=O)c2cc(NC(=O)CCc3ccc(F)c(F)c3)cnc2n(C)c1=O
InChIInChI=1S/C18H16F2N4O3/c1-23-16-12(17(26)24(2)18(23)27)8-11(9-21-16)22-15(25)6-4-10-3-5-13(19)14(20)7-10/h3,5,7-9H,4,6H2,1-2H3,(H,22,25)
InChIKeyBEMCXPDYNCAGFH-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.48
Rot. Bonds4

About 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (PubChem CID 55607526) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
PubChem CID55607526
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCn1c(=O)c2cc(NC(=O)CCc3ccc(F)c(F)c3)cnc2n(C)c1=O
InChIInChI=1S/C18H16F2N4O3/c1-23-16-12(17(26)24(2)18(23)27)8-11(9-21-16)22-15(25)6-4-10-3-5-13(19)14(20)7-10/h3,5,7-9H,4,6H2,1-2H3,(H,22,25)
InChIKeyBEMCXPDYNCAGFH-UHFFFAOYSA-N
XLogP1.48
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (CID 55607526) is 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is Cn1c(=O)c2cc(NC(=O)CCc3ccc(F)c(F)c3)cnc2n(C)c1=O.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is BEMCXPDYNCAGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-23-16-12(17(26)24(2)18(23)27)8-11(9-21-16)22-15(25)6-4-10-3-5-13(19)14(20)7-10/h3,5,7-9H,4,6H2,1-2H3,(H,22,25).
What are the key properties of 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 374.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 55607526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).