N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C23H19F3N6O2 — CID 155253624

IUPACN-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILES[2H]C([2H])([2H])Oc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C23H19F3N6O2/c1-12-4-5-15(30-20(33)13-6-7-28-18(9-13)23(24,25)26)10-16(12)17-8-14-11-29-22(27-2)32-19(14)31-21(17)34-3/h4-11H,1-3H3,(H,30,33)(H,27,29,31,32)/i3D3
InChIKeyWDAKBPFXYKQEHT-HPRDVNIFSA-N
MW471.46 g/mol
LogP4.72
Rot. Bonds6

About N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253624) has the molecular formula C23H19F3N6O2 and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253624
Molecular FormulaC23H19F3N6O2
Molecular Weight471.46 g/mol
Exact Mass471.17
IUPAC NameN-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILES[2H]C([2H])([2H])Oc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C23H19F3N6O2/c1-12-4-5-15(30-20(33)13-6-7-28-18(9-13)23(24,25)26)10-16(12)17-8-14-11-29-22(27-2)32-19(14)31-21(17)34-3/h4-11H,1-3H3,(H,30,33)(H,27,29,31,32)/i3D3
InChIKeyWDAKBPFXYKQEHT-HPRDVNIFSA-N
XLogP4.72
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[7-ethynyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 155253603
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155253604
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158809590
3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 159400850
N-[3-[2-(2-hydroxypropan-2-yl)-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930288
N-[3-[5-[cyano(ethyl)amino]-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 140809737
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408534
2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
CID 168929774
N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 169024674
2,2-difluoro-N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 58829372
N-[4-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930622

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253624) is N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is [2H]C([2H])([2H])Oc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.
What is the InChIKey of N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is WDAKBPFXYKQEHT-HPRDVNIFSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-12-4-5-15(30-20(33)13-6-7-28-18(9-13)23(24,25)26)10-16(12)17-8-14-11-29-22(27-2)32-19(14)31-21(17)34-3/h4-11H,1-3H3,(H,30,33)(H,27,29,31,32)/i3D3.
What are the key properties of N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 471.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).