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

C50H42F6N10O2 — CID 158973678

IUPACN-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=Cc1nc2nc(CC)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.C25H20F3N5O/c2*1-4-20-19(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/h6-13H,4-5H2,1-3H3,(H,31,34);4,6-13H,1,5H2,2-3H3,(H,31,34)
InChIKeyJOCUSDRHOXJOBA-UHFFFAOYSA-N
MW928.94 g/mol
LogP11.66
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-ethylpyrido[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-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158973678) has the molecular formula C50H42F6N10O2 and a molecular weight of 928.94 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-ethylpyrido[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-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID158973678
Molecular FormulaC50H42F6N10O2
Molecular Weight928.94 g/mol
Exact Mass928.34
IUPAC NameN-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=Cc1nc2nc(CC)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.C25H20F3N5O/c2*1-4-20-19(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/h6-13H,4-5H2,1-3H3,(H,31,34);4,6-13H,1,5H2,2-3H3,(H,31,34)
InChIKeyJOCUSDRHOXJOBA-UHFFFAOYSA-N
XLogP11.66
TPSA161.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.94
LogP ≤ 511.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[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-ethylpyrido[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-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158973678) is N-[3-(2,7-diethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[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-ethylpyrido[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-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C=Cc1nc2nc(CC)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-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is JOCUSDRHOXJOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O.C25H20F3N5O/c2*1-4-20-19(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/h6-13H,4-5H2,1-3H3,(H,31,34);4,6-13H,1,5H2,2-3H3,(H,31,34).
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-ethylpyrido[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-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 928.94 g/mol, XLogP of 11.66, 10 rotatable bonds, 2 hydrogen bond donors, and 10 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-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158973678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).