6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

C24H20BrFN6O2 — CID 11489332

IUPAC6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C24H20BrFN6O2/c1-32(2)20(33)13-27-23(34)21-18(17-5-3-4-6-19(17)25)11-14-12-28-24(31-22(14)30-21)29-16-9-7-15(26)8-10-16/h3-12H,13H2,1-2H3,(H,27,34)(H,28,29,30,31)
InChIKeyWVVMGOODSSTVJR-UHFFFAOYSA-N
MW523.37 g/mol
LogP4.16
Rot. Bonds6

About 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11489332) has the molecular formula C24H20BrFN6O2 and a molecular weight of 523.37 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID11489332
Molecular FormulaC24H20BrFN6O2
Molecular Weight523.37 g/mol
Exact Mass522.08
IUPAC Name6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C24H20BrFN6O2/c1-32(2)20(33)13-27-23(34)21-18(17-5-3-4-6-19(17)25)11-14-12-28-24(31-22(14)30-21)29-16-9-7-15(26)8-10-16/h3-12H,13H2,1-2H3,(H,27,34)(H,28,29,30,31)
InChIKeyWVVMGOODSSTVJR-UHFFFAOYSA-N
XLogP4.16
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11489332) is 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is CN(C)C(=O)CNC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.
What is the InChIKey of 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is WVVMGOODSSTVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN6O2/c1-32(2)20(33)13-27-23(34)21-18(17-5-3-4-6-19(17)25)11-14-12-28-24(31-22(14)30-21)29-16-9-7-15(26)8-10-16/h3-12H,13H2,1-2H3,(H,27,34)(H,28,29,30,31).
What are the key properties of 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 523.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11489332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).