N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide

C120H109F3N16O13 — CID 160822694

About N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide

N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide (PubChem CID 160822694) has the molecular formula C120H109F3N16O13 and a molecular weight of 2040.28 g/mol. Its IUPAC name is N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide
• PubChem CID: 160822694
• Molecular Formula: C120H109F3N16O13
• Molecular Weight: 2040.28 g/mol
• Exact Mass: 2038.83
• IUPAC Name: N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide
• SMILES: C=CC(=O)CCc1cc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)c4ccc(C)cc4)c3)n2)ccc1O.C=CC(=O)CCc1cc(NC(=O)c2ccccc2)cc([C@H](C)Cc2cncc(-c3ccc(O)c(OC)c3)n2)c1.COc1cc(-c2cc(C[C@@H](C)c3cccc(NC(=O)c4cncc(C(F)(F)F)c4)c3)nc(C#N)n2)ccc1O.COc1cc(-c2cc(C[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)nc(C#N)n2)ccc1O
• InChI: InChI=1S/C32H31N3O4.C32H31N3O3.C28H22F3N5O3.C28H25N5O3/c1-4-28(36)12-10-22-15-25(17-26(16-22)35-32(38)23-8-6-5-7-9-23)21(2)14-27-19-33-20-29(34-27)24-11-13-30(37)31(18-24)39-3;1-4-29(36)14-12-26-17-25(13-15-31(26)37)30-20-33-19-28(34-30)16-22(3)24-6-5-7-27(18-24)35-32(38)23-10-8-21(2)9-11-23;1-16(8-22-12-23(36-26(13-32)34-22)18-6-7-24(37)25(11-18)39-2)17-4-3-5-21(10-17)35-27(38)19-9-20(15-33-14-19)28(29,30)31;1-17-9-21(16-30-15-17)28(35)32-22-6-4-5-19(11-22)18(2)10-23-13-24(33-27(14-29)31-23)20-7-8-25(34)26(12-20)36-3/h4-9,11,13,15-21,37H,1,10,12,14H2,2-3H3,(H,35,38);4-11,13,15,17-20,22,37H,1,12,14,16H2,2-3H3,(H,35,38);3-7,9-12,14-16,37H,8H2,1-2H3,(H,35,38);4-9,11-13,15-16,18,34H,10H2,1-3H3,(H,32,35)/t21-;22-;16-;18-/m1111/s1
• InChIKey: SFTGTKRFOINJDZ-NRTWGVRESA-N
• XLogP: 23.36
• TPSA: 435.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2040.28
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide?

The IUPAC name of N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide (CID 160822694) is N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide.

What is the SMILES notation for N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide?

The canonical SMILES for N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide is C=CC(=O)CCc1cc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)c4ccc(C)cc4)c3)n2)ccc1O.C=CC(=O)CCc1cc(NC(=O)c2ccccc2)cc([C@H](C)Cc2cncc(-c3ccc(O)c(OC)c3)n2)c1.COc1cc(-c2cc(C[C@@H](C)c3cccc(NC(=O)c4cncc(C(F)(F)F)c4)c3)nc(C#N)n2)ccc1O.COc1cc(-c2cc(C[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)nc(C#N)n2)ccc1O.

What is the InChIKey of N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide?

The InChIKey is SFTGTKRFOINJDZ-NRTWGVRESA-N. The full InChI is InChI=1S/C32H31N3O4.C32H31N3O3.C28H22F3N5O3.C28H25N5O3/c1-4-28(36)12-10-22-15-25(17-26(16-22)35-32(38)23-8-6-5-7-9-23)21(2)14-27-19-33-20-29(34-27)24-11-13-30(37)31(18-24)39-3;1-4-29(36)14-12-26-17-25(13-15-31(26)37)30-20-33-19-28(34-30)16-22(3)24-6-5-7-27(18-24)35-32(38)23-10-8-21(2)9-11-23;1-16(8-22-12-23(36-26(13-32)34-22)18-6-7-24(37)25(11-18)39-2)17-4-3-5-21(10-17)35-27(38)19-9-20(15-33-14-19)28(29,30)31;1-17-9-21(16-30-15-17)28(35)32-22-6-4-5-19(11-22)18(2)10-23-13-24(33-27(14-29)31-23)20-7-8-25(34)26(12-20)36-3/h4-9,11,13,15-21,37H,1,10,12,14H2,2-3H3,(H,35,38);4-11,13,15,17-20,22,37H,1,12,14,16H2,2-3H3,(H,35,38);3-7,9-12,14-16,37H,8H2,1-2H3,(H,35,38);4-9,11-13,15-16,18,34H,10H2,1-3H3,(H,32,35)/t21-;22-;16-;18-/m1111/s1.

What are the key properties of N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide?

N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 2040.28 g/mol, XLogP of 23.36, 35 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 160822694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).