N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C56H56F6N10O4 — CID 164989984

IUPACN-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCN[C@@H](C)C#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CN[C@H](C)C#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/2C28H28F3N5O2/c2*1-18-4-6-23(35-27(37)20-8-9-33-25(15-20)28(29,30)31)17-24(18)21-14-22(7-5-19(2)32-3)34-26(16-21)36-10-12-38-13-11-36/h2*4,6,8-9,14-17,19,32H,10-13H2,1-3H3,(H,35,37)/t2*19-/m10/s1
InChIKeyGSEXBRJLHHYWBC-OYPHMNEHSA-N
MW1047.12 g/mol
LogP9.04
Rot. Bonds10

About N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 164989984) has the molecular formula C56H56F6N10O4 and a molecular weight of 1047.12 g/mol. Its IUPAC name is N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID164989984
Molecular FormulaC56H56F6N10O4
Molecular Weight1047.12 g/mol
Exact Mass1046.44
IUPAC NameN-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCN[C@@H](C)C#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CN[C@H](C)C#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/2C28H28F3N5O2/c2*1-18-4-6-23(35-27(37)20-8-9-33-25(15-20)28(29,30)31)17-24(18)21-14-22(7-5-19(2)32-3)34-26(16-21)36-10-12-38-13-11-36/h2*4,6,8-9,14-17,19,32H,10-13H2,1-3H3,(H,35,37)/t2*19-/m10/s1
InChIKeyGSEXBRJLHHYWBC-OYPHMNEHSA-N
XLogP9.04
TPSA158.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.12
LogP ≤ 59.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 132067922
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 86296702
2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 86296890
3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]benzamide
CID 86297090
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
N-(3-(2-(ethylamino)-6-morpholinopyrimidin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide
CID 90456295
(R)-N-(3-(2-((2-hydroxypropyl)amino)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide
CID 90456369
US10245267, Example 1126
CID 90456376
N-[4-methyl-3-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)pyridin-4-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90456641
N-[3-(2-ethoxy-6-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90456905
N-(3-(2-(3-hydroxyazetidin-1-yl)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide
CID 90460502

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 164989984) is N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CN[C@@H](C)C#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CN[C@H](C)C#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is GSEXBRJLHHYWBC-OYPHMNEHSA-N. The full InChI is InChI=1S/2C28H28F3N5O2/c2*1-18-4-6-23(35-27(37)20-8-9-33-25(15-20)28(29,30)31)17-24(18)21-14-22(7-5-19(2)32-3)34-26(16-21)36-10-12-38-13-11-36/h2*4,6,8-9,14-17,19,32H,10-13H2,1-3H3,(H,35,37)/t2*19-/m10/s1.
What are the key properties of N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1047.12 g/mol, XLogP of 9.04, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-[(3R)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-[(3S)-3-(methylamino)but-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 164989984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).