2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine

C121H116ClN11O7 — CID 157284315

IUPAC2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine
SMILESCOC(OC)N(C)C.Cc1ccc(-c2cc(C#N)c(=O)[nH]c2-c2ccccc2)cc1.Cc1ccc(-c2cc(C#N)c(Cl)nc2-c2ccccc2)cc1.Cc1ccc(-c2cc(C#N)c(N3CCOCC3)nc2-c2ccccc2)cc1.Cc1ccc(-c2ccc(N3CCOCC3)nc2-c2ccccc2)cc1.Cc1ccc(/C(=C\N(C)C)C(=O)c2ccccc2)cc1.Cc1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O.C22H22N2O.C19H13ClN2.C19H14N2O.C18H19NO.C15H14O.C5H13NO2/c1-17-7-9-18(10-8-17)21-15-20(16-24)23(26-11-13-27-14-12-26)25-22(21)19-5-3-2-4-6-19;1-17-7-9-18(10-8-17)20-11-12-21(24-13-15-25-16-14-24)23-22(20)19-5-3-2-4-6-19;1-13-7-9-14(10-8-13)17-11-16(12-21)19(20)22-18(17)15-5-3-2-4-6-15;1-13-7-9-14(10-8-13)17-11-16(12-20)19(22)21-18(17)15-5-3-2-4-6-15;1-14-9-11-15(12-10-14)17(13-19(2)3)18(20)16-7-5-4-6-8-16;1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14;1-6(2)5(7-3)8-4/h2-10,15H,11-14H2,1H3;2-12H,13-16H2,1H3;2-11H,1H3;2-11H,1H3,(H,21,22);4-13H,1-3H3;2-10H,11H2,1H3;5H,1-4H3/b;;;;17-13+;;
InChIKeyBAARYGNDIWUYCQ-CVIAOCKFSA-N
MW1871.78 g/mol
LogP25.46
Rot. Bonds20

About 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine

2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine (PubChem CID 157284315) has the molecular formula C121H116ClN11O7 and a molecular weight of 1871.78 g/mol. Its IUPAC name is 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine
PubChem CID157284315
Molecular FormulaC121H116ClN11O7
Molecular Weight1871.78 g/mol
Exact Mass1869.87
IUPAC Name2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine
SMILESCOC(OC)N(C)C.Cc1ccc(-c2cc(C#N)c(=O)[nH]c2-c2ccccc2)cc1.Cc1ccc(-c2cc(C#N)c(Cl)nc2-c2ccccc2)cc1.Cc1ccc(-c2cc(C#N)c(N3CCOCC3)nc2-c2ccccc2)cc1.Cc1ccc(-c2ccc(N3CCOCC3)nc2-c2ccccc2)cc1.Cc1ccc(/C(=C\N(C)C)C(=O)c2ccccc2)cc1.Cc1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O.C22H22N2O.C19H13ClN2.C19H14N2O.C18H19NO.C15H14O.C5H13NO2/c1-17-7-9-18(10-8-17)21-15-20(16-24)23(26-11-13-27-14-12-26)25-22(21)19-5-3-2-4-6-19;1-17-7-9-18(10-8-17)20-11-12-21(24-13-15-25-16-14-24)23-22(20)19-5-3-2-4-6-19;1-13-7-9-14(10-8-13)17-11-16(12-21)19(20)22-18(17)15-5-3-2-4-6-15;1-13-7-9-14(10-8-13)17-11-16(12-20)19(22)21-18(17)15-5-3-2-4-6-15;1-14-9-11-15(12-10-14)17(13-19(2)3)18(20)16-7-5-4-6-8-16;1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14;1-6(2)5(7-3)8-4/h2-10,15H,11-14H2,1H3;2-12H,13-16H2,1H3;2-11H,1H3;2-11H,1H3,(H,21,22);4-13H,1-3H3;2-10H,11H2,1H3;5H,1-4H3/b;;;;17-13+;;
InChIKeyBAARYGNDIWUYCQ-CVIAOCKFSA-N
XLogP25.46
TPSA226.92 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001871.78
LogP ≤ 525.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine with MolForge

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Related Compounds

1-[5-[4-(4-Chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea
CID 87728251
4-[[4-[5-Chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 158129671
4-[[4-[5-Chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 158622369
2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 159071551
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 159595437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine?
The IUPAC name of 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine (CID 157284315) is 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine.
What is the SMILES notation for 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine?
The canonical SMILES for 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine is COC(OC)N(C)C.Cc1ccc(-c2cc(C#N)c(=O)[nH]c2-c2ccccc2)cc1.Cc1ccc(-c2cc(C#N)c(Cl)nc2-c2ccccc2)cc1.Cc1ccc(-c2cc(C#N)c(N3CCOCC3)nc2-c2ccccc2)cc1.Cc1ccc(-c2ccc(N3CCOCC3)nc2-c2ccccc2)cc1.Cc1ccc(/C(=C\N(C)C)C(=O)c2ccccc2)cc1.Cc1ccc(CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine?
The InChIKey is BAARYGNDIWUYCQ-CVIAOCKFSA-N. The full InChI is InChI=1S/C23H21N3O.C22H22N2O.C19H13ClN2.C19H14N2O.C18H19NO.C15H14O.C5H13NO2/c1-17-7-9-18(10-8-17)21-15-20(16-24)23(26-11-13-27-14-12-26)25-22(21)19-5-3-2-4-6-19;1-17-7-9-18(10-8-17)20-11-12-21(24-13-15-25-16-14-24)23-22(20)19-5-3-2-4-6-19;1-13-7-9-14(10-8-13)17-11-16(12-21)19(20)22-18(17)15-5-3-2-4-6-15;1-13-7-9-14(10-8-13)17-11-16(12-20)19(22)21-18(17)15-5-3-2-4-6-15;1-14-9-11-15(12-10-14)17(13-19(2)3)18(20)16-7-5-4-6-8-16;1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14;1-6(2)5(7-3)8-4/h2-10,15H,11-14H2,1H3;2-12H,13-16H2,1H3;2-11H,1H3;2-11H,1H3,(H,21,22);4-13H,1-3H3;2-10H,11H2,1H3;5H,1-4H3/b;;;;17-13+;;.
What are the key properties of 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine?
2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine has a molecular weight of 1871.78 g/mol, XLogP of 25.46, 20 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine is sourced from PubChem (CID 157284315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).