2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide

C107H112ClIN18O4 — CID 157385141

IUPAC2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide
SMILESC.C.C.C.CNc1nc(-c2ccccc2C)c(-c2c(C)cncc2C)cc1C#N.CNc1nc(-c2ccccc2C)c(-c2c(C)cncc2C)cc1C(=O)O.Cc1ccccc1-c1nc(Cl)c(C#N)cc1-c1c(C)cncc1C.Cc1ccccc1-c1nc2[nH]c(=O)[nH]c2cc1-c1c(C)cncc1C.Cc1ccccc1-c1nc2c(cc1-c1c(C)cncc1C)[nH]c(=O)n2C.I
InChIInChI=1S/C21H20N4O.C21H20N4.C21H21N3O2.C20H16ClN3.C20H18N4O.4CH4.HI/c1-12-7-5-6-8-15(12)19-16(18-13(2)10-22-11-14(18)3)9-17-20(24-19)25(4)21(26)23-17;1-13-7-5-6-8-17(13)20-18(9-16(10-22)21(23-4)25-20)19-14(2)11-24-12-15(19)3;1-12-7-5-6-8-15(12)19-16(18-13(2)10-23-11-14(18)3)9-17(21(25)26)20(22-4)24-19;1-12-6-4-5-7-16(12)19-17(8-15(9-22)20(21)24-19)18-13(2)10-23-11-14(18)3;1-11-6-4-5-7-14(11)18-15(17-12(2)9-21-10-13(17)3)8-16-19(23-18)24-20(25)22-16;;;;;/h5-11H,1-4H3,(H,23,26);5-9,11-12H,1-4H3,(H,23,25);5-11H,1-4H3,(H,22,24)(H,25,26);4-8,10-11H,1-3H3;4-10H,1-3H3,(H2,22,23,24,25);4*1H4;1H
InChIKeyDVJYNRWMIXBUOW-UHFFFAOYSA-N
MW1876.55 g/mol
LogP25.37
Rot. Bonds13

About 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide

2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide (PubChem CID 157385141) has the molecular formula C107H112ClIN18O4 and a molecular weight of 1876.55 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide
PubChem CID157385141
Molecular FormulaC107H112ClIN18O4
Molecular Weight1876.55 g/mol
Exact Mass1874.78
IUPAC Name2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide
SMILESC.C.C.C.CNc1nc(-c2ccccc2C)c(-c2c(C)cncc2C)cc1C#N.CNc1nc(-c2ccccc2C)c(-c2c(C)cncc2C)cc1C(=O)O.Cc1ccccc1-c1nc(Cl)c(C#N)cc1-c1c(C)cncc1C.Cc1ccccc1-c1nc2[nH]c(=O)[nH]c2cc1-c1c(C)cncc1C.Cc1ccccc1-c1nc2c(cc1-c1c(C)cncc1C)[nH]c(=O)n2C.I
InChIInChI=1S/C21H20N4O.C21H20N4.C21H21N3O2.C20H16ClN3.C20H18N4O.4CH4.HI/c1-12-7-5-6-8-15(12)19-16(18-13(2)10-22-11-14(18)3)9-17-20(24-19)25(4)21(26)23-17;1-13-7-5-6-8-17(13)20-18(9-16(10-22)21(23-4)25-20)19-14(2)11-24-12-15(19)3;1-12-7-5-6-8-15(12)19-16(18-13(2)10-23-11-14(18)3)9-17(21(25)26)20(22-4)24-19;1-12-6-4-5-7-16(12)19-17(8-15(9-22)20(21)24-19)18-13(2)10-23-11-14(18)3;1-11-6-4-5-7-14(11)18-15(17-12(2)9-21-10-13(17)3)8-16-19(23-18)24-20(25)22-16;;;;;/h5-11H,1-4H3,(H,23,26);5-9,11-12H,1-4H3,(H,23,25);5-11H,1-4H3,(H,22,24)(H,25,26);4-8,10-11H,1-3H3;4-10H,1-3H3,(H2,22,23,24,25);4*1H4;1H
InChIKeyDVJYNRWMIXBUOW-UHFFFAOYSA-N
XLogP25.37
TPSA324.28 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.55
LogP ≤ 525.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide with MolForge

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Related Compounds

2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
CID 158727356
2-amino-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;2-amino-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carboxylic acid;2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(Z)-3-(dimethylamino)-2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)prop-2-en-1-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone;5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile;4-ethyl-3,5-dimethylpyridine;ethyl 2-methylbenzoate;methane;2-methylbenzaldehyde;3,4,5-trimethylpyridine;hydroiodide
CID 157211879
3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
CID 157335958
3-chloro-4-iodo-8-phenyl-N-(pyridin-2-ylmethyl)isoquinolin-1-amine;5-[3-chloro-8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-4-yl]pyridine-3-carbonitrile;5-[3-chloro-8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-4-yl]pyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
CID 160402877
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine
CID 160991540
3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indolizine-7-carboxamide;hydrochloride
CID 161831633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide?
The IUPAC name of 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide (CID 157385141) is 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide.
What is the SMILES notation for 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide?
The canonical SMILES for 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide is C.C.C.C.CNc1nc(-c2ccccc2C)c(-c2c(C)cncc2C)cc1C#N.CNc1nc(-c2ccccc2C)c(-c2c(C)cncc2C)cc1C(=O)O.Cc1ccccc1-c1nc(Cl)c(C#N)cc1-c1c(C)cncc1C.Cc1ccccc1-c1nc2[nH]c(=O)[nH]c2cc1-c1c(C)cncc1C.Cc1ccccc1-c1nc2c(cc1-c1c(C)cncc1C)[nH]c(=O)n2C.I.
What is the InChIKey of 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide?
The InChIKey is DVJYNRWMIXBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O.C21H20N4.C21H21N3O2.C20H16ClN3.C20H18N4O.4CH4.HI/c1-12-7-5-6-8-15(12)19-16(18-13(2)10-22-11-14(18)3)9-17-20(24-19)25(4)21(26)23-17;1-13-7-5-6-8-17(13)20-18(9-16(10-22)21(23-4)25-20)19-14(2)11-24-12-15(19)3;1-12-7-5-6-8-15(12)19-16(18-13(2)10-23-11-14(18)3)9-17(21(25)26)20(22-4)24-19;1-12-6-4-5-7-16(12)19-17(8-15(9-22)20(21)24-19)18-13(2)10-23-11-14(18)3;1-11-6-4-5-7-14(11)18-15(17-12(2)9-21-10-13(17)3)8-16-19(23-18)24-20(25)22-16;;;;;/h5-11H,1-4H3,(H,23,26);5-9,11-12H,1-4H3,(H,23,25);5-11H,1-4H3,(H,22,24)(H,25,26);4-8,10-11H,1-3H3;4-10H,1-3H3,(H2,22,23,24,25);4*1H4;1H.
What are the key properties of 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide?
2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide has a molecular weight of 1876.55 g/mol, XLogP of 25.37, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carbonitrile;5-(3,5-dimethyl-4-pyridinyl)-2-(methylamino)-6-(2-methylphenyl)pyridine-3-carboxylic acid;6-(3,5-dimethyl-4-pyridinyl)-3-methyl-5-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one;6-(3,5-dimethyl-4-pyridinyl)-5-(2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;methane;hydroiodide is sourced from PubChem (CID 157385141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).