N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide

C20H20F4N4O2 — CID 118307969

IUPACN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@@](C)(F)CC3(F)F)c2)nc1
InChIInChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1/i3D3
InChIKeyYWLRPFXPTFLZDK-SSFPYSMQSA-N
MW427.42 g/mol
LogP3.82
Rot. Bonds5

About N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide

N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide (PubChem CID 118307969) has the molecular formula C20H20F4N4O2 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
PubChem CID118307969
Molecular FormulaC20H20F4N4O2
Molecular Weight427.42 g/mol
Exact Mass427.17
IUPAC NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@@](C)(F)CC3(F)F)c2)nc1
InChIInChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1/i3D3
InChIKeyYWLRPFXPTFLZDK-SSFPYSMQSA-N
XLogP3.82
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123530631
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-methoxy-3-methylpyrazine-2-carboxamide
CID 118307959
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118307941
N-[3-[(2R,5S)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 118326732
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethoxypyridine-2-carboxamide
CID 71305034
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 118307972
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide;formic acid
CID 54578014
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
CID 153432494
N-[3-[(2S,5S)-6-amino-2,5-dimethyl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137397316
N-[3-(5-amino-3,6-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123782506
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-1,1-dioxo-6-(2,2,2-trifluoroethyl)-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 89095045

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide (CID 118307969) is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide is [2H]C([2H])([2H])Oc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@@](C)(F)CC3(F)F)c2)nc1.
What is the InChIKey of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
The InChIKey is YWLRPFXPTFLZDK-SSFPYSMQSA-N. The full InChI is InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1/i3D3.
What are the key properties of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 118307969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).