N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C21H21F4N5O2 — CID 59570580

IUPACN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)N=C1N
InChIInChI=1S/C21H21F4N5O2/c1-19(2)17(32)30(4)18(26)29-20(19,3)13-9-12(6-7-14(13)22)28-16(31)15-8-5-11(10-27-15)21(23,24)25/h5-10H,1-4H3,(H2,26,29)(H,28,31)/t20-/m1/s1
InChIKeyNZDOYKYQMOQJLZ-HXUWFJFHSA-N
MW451.42 g/mol
LogP3.52
Rot. Bonds3

About N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 59570580) has the molecular formula C21H21F4N5O2 and a molecular weight of 451.42 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID59570580
Molecular FormulaC21H21F4N5O2
Molecular Weight451.42 g/mol
Exact Mass451.16
IUPAC NameN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)N=C1N
InChIInChI=1S/C21H21F4N5O2/c1-19(2)17(32)30(4)18(26)29-20(19,3)13-9-12(6-7-14(13)22)28-16(31)15-8-5-11(10-27-15)21(23,24)25/h5-10H,1-4H3,(H2,26,29)(H,28,31)/t20-/m1/s1
InChIKeyNZDOYKYQMOQJLZ-HXUWFJFHSA-N
XLogP3.52
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide
CID 66727509
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-1-hydroxycyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 66727807
(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497028
N-[3-[(8R)-10-amino-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 89419853
N-[3-[(4aS,7R,7aS)-3-amino-7-(fluoromethyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 71468771
2-amino-6-[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727648
(6S)-2-amino-6-[2-fluoro-5-(3-fluoroanilino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497057
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-1-oxo-6-pyridin-2-yl-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126634304
(6S)-2-amino-6-[5-(2,4-difluoroanilino)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497039
(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497053
2-amino-6-[2-fluoro-5-(oxetan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727533

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 59570580) is N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)N=C1N.
What is the InChIKey of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NZDOYKYQMOQJLZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21F4N5O2/c1-19(2)17(32)30(4)18(26)29-20(19,3)13-9-12(6-7-14(13)22)28-16(31)15-8-5-11(10-27-15)21(23,24)25/h5-10H,1-4H3,(H2,26,29)(H,28,31)/t20-/m1/s1.
What are the key properties of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 451.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 59570580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).