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

C20H19F5N4O — CID 118307926

IUPACN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c1
InChIInChI=1S/C20H19F5N4O/c1-10-6-11(21)8-27-15(10)16(30)28-12-4-5-14(22)13(7-12)19(3)20(24,25)9-18(2,23)17(26)29-19/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
InChIKeyJZWNILHOEJVHHZ-RBUKOAKNSA-N
MW426.39 g/mol
LogP4.26
Rot. Bonds3

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

N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide (PubChem CID 118307926) has the molecular formula C20H19F5N4O and a molecular weight of 426.39 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-fluoro-3-methylpyridine-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-fluoro-3-methylpyridine-2-carboxamide
PubChem CID118307926
Molecular FormulaC20H19F5N4O
Molecular Weight426.39 g/mol
Exact Mass426.15
IUPAC NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c1
InChIInChI=1S/C20H19F5N4O/c1-10-6-11(21)8-27-15(10)16(30)28-12-4-5-14(22)13(7-12)19(3)20(24,25)9-18(2,23)17(26)29-19/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
InChIKeyJZWNILHOEJVHHZ-RBUKOAKNSA-N
XLogP4.26
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-fluoro-3-methylpyridine-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-fluoro-3-methylpyridine-2-carboxamide (CID 118307926) is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-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-fluoro-3-methylpyridine-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-fluoro-3-methylpyridine-2-carboxamide is Cc1cc(F)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c1.
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-fluoro-3-methylpyridine-2-carboxamide?
The InChIKey is JZWNILHOEJVHHZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19F5N4O/c1-10-6-11(21)8-27-15(10)16(30)28-12-4-5-14(22)13(7-12)19(3)20(24,25)9-18(2,23)17(26)29-19/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1.
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-fluoro-3-methylpyridine-2-carboxamide?
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide has a molecular weight of 426.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-fluoro-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 118307926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).