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

C19H19F4N5O2 — CID 118326715

IUPACN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2F)nc1
InChIInChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-5-4-6-12(13(11)20)27-15(29)14-25-7-10(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1
InChIKeyGJDILHUXGJLHEF-QZTJIDSGSA-N
MW425.39 g/mol
LogP3.22
Rot. Bonds4

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

N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide (PubChem CID 118326715) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide
PubChem CID118326715
Molecular FormulaC19H19F4N5O2
Molecular Weight425.39 g/mol
Exact Mass425.15
IUPAC NameN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2F)nc1
InChIInChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-5-4-6-12(13(11)20)27-15(29)14-25-7-10(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1
InChIKeyGJDILHUXGJLHEF-QZTJIDSGSA-N
XLogP3.22
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118326738
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide
CID 118326730
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]-5-(trideuteriomethoxy)pyridine-2-carboxamide
CID 118307969
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]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 118307972
N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 129287228
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-2-fluorophenyl]-5-(1,3-thiazol-2-yl)pyridine-2-carboxamide;formic acid
CID 162090336
5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide
CID 126572228
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
2-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 159098774

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide?
The IUPAC name of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide (CID 118326715) is N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide is COc1cnc(C(=O)Nc2cccc([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2F)nc1.
What is the InChIKey of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide?
The InChIKey is GJDILHUXGJLHEF-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-5-4-6-12(13(11)20)27-15(29)14-25-7-10(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1.
What are the key properties of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide?
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide is sourced from PubChem (CID 118326715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).