N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C18H16BrFN4O3 — CID 78852078

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H16BrFN4O3/c1-22(9-11-6-12(19)4-5-14(11)20)16(25)10-7-13-15(21-8-10)23(2)18(27)24(3)17(13)26/h4-8H,9H2,1-3H3
InChIKeyYMRAHFWVDQVXAB-UHFFFAOYSA-N
MW435.25 g/mol
LogP1.81
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 78852078) has the molecular formula C18H16BrFN4O3 and a molecular weight of 435.25 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID78852078
Molecular FormulaC18H16BrFN4O3
Molecular Weight435.25 g/mol
Exact Mass434.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H16BrFN4O3/c1-22(9-11-6-12(19)4-5-14(11)20)16(25)10-7-13-15(21-8-10)23(2)18(27)24(3)17(13)26/h4-8H,9H2,1-3H3
InChIKeyYMRAHFWVDQVXAB-UHFFFAOYSA-N
XLogP1.81
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 78852078) is N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CN(Cc1cc(Br)ccc1F)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YMRAHFWVDQVXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O3/c1-22(9-11-6-12(19)4-5-14(11)20)16(25)10-7-13-15(21-8-10)23(2)18(27)24(3)17(13)26/h4-8H,9H2,1-3H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 78852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).