N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C49H41F6N11O2 — CID 159923369

IUPACN-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=Cc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(CC)nc2n1
InChIInChI=1S/C25H22F3N5O.C24H19F3N6O/c1-4-20-19(10-16-13-30-22(5-2)33-23(16)32-20)18-12-17(7-6-14(18)3)31-24(34)15-8-9-29-21(11-15)25(26,27)28;1-4-19-18(9-15-12-30-23(28-3)33-21(15)32-19)17-11-16(6-5-13(17)2)31-22(34)14-7-8-29-20(10-14)24(25,26)27/h6-13H,4-5H2,1-3H3,(H,31,34);4-12H,1H2,2-3H3,(H,31,34)(H,28,30,32,33)
InChIKeyNYRWHDYGYOSAIJ-UHFFFAOYSA-N
MW929.93 g/mol
LogP11.14
Rot. Bonds10

About N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159923369) has the molecular formula C49H41F6N11O2 and a molecular weight of 929.93 g/mol. Its IUPAC name is N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID159923369
Molecular FormulaC49H41F6N11O2
Molecular Weight929.93 g/mol
Exact Mass929.33
IUPAC NameN-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=Cc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(CC)nc2n1
InChIInChI=1S/C25H22F3N5O.C24H19F3N6O/c1-4-20-19(10-16-13-30-22(5-2)33-23(16)32-20)18-12-17(7-6-14(18)3)31-24(34)15-8-9-29-21(11-15)25(26,27)28;1-4-19-18(9-15-12-30-23(28-3)33-21(15)32-19)17-11-16(6-5-13(17)2)31-22(34)14-7-8-29-20(10-14)24(25,26)27/h6-13H,4-5H2,1-3H3,(H,31,34);4-12H,1H2,2-3H3,(H,31,34)(H,28,30,32,33)
InChIKeyNYRWHDYGYOSAIJ-UHFFFAOYSA-N
XLogP11.14
TPSA173.35 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.93
LogP ≤ 511.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159923369) is N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C=Cc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(CC)nc2n1.
What is the InChIKey of N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is NYRWHDYGYOSAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O.C24H19F3N6O/c1-4-20-19(10-16-13-30-22(5-2)33-23(16)32-20)18-12-17(7-6-14(18)3)31-24(34)15-8-9-29-21(11-15)25(26,27)28;1-4-19-18(9-15-12-30-23(28-3)33-21(15)32-19)17-11-16(6-5-13(17)2)31-22(34)14-7-8-29-20(10-14)24(25,26)27/h6-13H,4-5H2,1-3H3,(H,31,34);4-12H,1H2,2-3H3,(H,31,34)(H,28,30,32,33).
What are the key properties of N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 929.93 g/mol, XLogP of 11.14, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[7-ethenyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159923369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).