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

C23H18BrFN6O2 — CID 11156458

IUPAC6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNC(=O)CNC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C23H18BrFN6O2/c1-26-19(32)12-27-22(33)20-17(16-4-2-3-5-18(16)24)10-13-11-28-23(31-21(13)30-20)29-15-8-6-14(25)7-9-15/h2-11H,12H2,1H3,(H,26,32)(H,27,33)(H,28,29,30,31)
InChIKeyZIIZCFTWBAMBIG-UHFFFAOYSA-N
MW509.34 g/mol
LogP3.81
Rot. Bonds6

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

6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11156458) has the molecular formula C23H18BrFN6O2 and a molecular weight of 509.34 g/mol. Its IUPAC name is 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID11156458
Molecular FormulaC23H18BrFN6O2
Molecular Weight509.34 g/mol
Exact Mass508.07
IUPAC Name6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNC(=O)CNC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C23H18BrFN6O2/c1-26-19(32)12-27-22(33)20-17(16-4-2-3-5-18(16)24)10-13-11-28-23(31-21(13)30-20)29-15-8-6-14(25)7-9-15/h2-11H,12H2,1H3,(H,26,32)(H,27,33)(H,28,29,30,31)
InChIKeyZIIZCFTWBAMBIG-UHFFFAOYSA-N
XLogP3.81
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.34
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11156458) is 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide is CNC(=O)CNC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.
What is the InChIKey of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is ZIIZCFTWBAMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN6O2/c1-26-19(32)12-27-22(33)20-17(16-4-2-3-5-18(16)24)10-13-11-28-23(31-21(13)30-20)29-15-8-6-14(25)7-9-15/h2-11H,12H2,1H3,(H,26,32)(H,27,33)(H,28,29,30,31).
What are the key properties of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 509.34 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(methylamino)-2-oxoethyl]pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11156458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).