N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide

C19H17F5N4O2 — CID 153432494

IUPACN-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccc(C(=O)Nc2cc(F)c(F)c(C3(CF)N=C(N)CCC3(F)F)c2)nc1
InChIInChI=1S/C19H17F5N4O2/c1-30-11-2-3-14(26-8-11)17(29)27-10-6-12(16(22)13(21)7-10)18(9-20)19(23,24)5-4-15(25)28-18/h2-3,6-8H,4-5,9H2,1H3,(H2,25,28)(H,27,29)/i1D3
InChIKeyDBPLGCLZFJNQQI-FIBGUPNXSA-N
MW431.38 g/mol
LogP3.57
Rot. Bonds6

About N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide

N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide (PubChem CID 153432494) has the molecular formula C19H17F5N4O2 and a molecular weight of 431.38 g/mol. Its IUPAC name is N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
PubChem CID153432494
Molecular FormulaC19H17F5N4O2
Molecular Weight431.38 g/mol
Exact Mass431.15
IUPAC NameN-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccc(C(=O)Nc2cc(F)c(F)c(C3(CF)N=C(N)CCC3(F)F)c2)nc1
InChIInChI=1S/C19H17F5N4O2/c1-30-11-2-3-14(26-8-11)17(29)27-10-6-12(16(22)13(21)7-10)18(9-20)19(23,24)5-4-15(25)28-18/h2-3,6-8H,4-5,9H2,1H3,(H2,25,28)(H,27,29)/i1D3
InChIKeyDBPLGCLZFJNQQI-FIBGUPNXSA-N
XLogP3.57
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(4S,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4,5-difluorophenyl]-5-chloropyridine-2-carboxamide
CID 130435270
N-[3-[(7S)-5-amino-7-(fluoromethyl)-4-thia-6-azaspiro[2.4]hept-5-en-7-yl]-4,5-difluorophenyl]-5-chloro-3-methylpyridine-2-carboxamide
CID 145015626
N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trihydroxymethyl)-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
CID 90295015
N-[3-[(4S,5S,6S)-2-amino-4,6-bis(fluoromethyl)-5,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-5-chloropyridine-2-carboxamide
CID 126488369
N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126634332
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-[(6S)-2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 121317086
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-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4,5-difluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68943180
N-[3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 71112644
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide (CID 153432494) is N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide is [2H]C([2H])([2H])Oc1ccc(C(=O)Nc2cc(F)c(F)c(C3(CF)N=C(N)CCC3(F)F)c2)nc1.
What is the InChIKey of N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
The InChIKey is DBPLGCLZFJNQQI-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H17F5N4O2/c1-30-11-2-3-14(26-8-11)17(29)27-10-6-12(16(22)13(21)7-10)18(9-20)19(23,24)5-4-15(25)28-18/h2-3,6-8H,4-5,9H2,1H3,(H2,25,28)(H,27,29)/i1D3.
What are the key properties of N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide?
N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide has a molecular weight of 431.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 153432494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).