4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine

C104H132BrF2N23O8 — CID 159577217

IUPAC4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1cccc(N)n1.Cc1cccc(Nc2cc(F)ccc2C#N)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)ccc2C#N)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)ccc2C(N)=O)n1.N#Cc1ccc(F)cc1Br
InChIInChI=1S/C24H33N5O3.C24H31N5O2.C19H25N5O.C13H10FN3.C11H22N2O2.C7H3BrFN.C6H8N2/c1-15-8-7-11-21(26-15)28-20-14-16(12-13-17(20)22(25)30)27-18-9-5-6-10-19(18)29-23(31)32-24(2,3)4;1-16-8-7-11-22(26-16)28-21-14-18(13-12-17(21)15-25)27-19-9-5-6-10-20(19)29-23(30)31-24(2,3)4;1-12-5-4-8-18(22-12)24-17-11-13(9-10-14(17)19(21)25)23-16-7-3-2-6-15(16)20;1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;8-7-3-6(9)2-1-5(7)4-10;1-5-3-2-4-6(7)8-5/h7-8,11-14,18-19,27H,5-6,9-10H2,1-4H3,(H2,25,30)(H,26,28)(H,29,31);7-8,11-14,19-20,27H,5-6,9-10H2,1-4H3,(H,26,28)(H,29,30);4-5,8-11,15-16,23H,2-3,6-7,20H2,1H3,(H2,21,25)(H,22,24);2-7H,1H3,(H,16,17);8-9H,4-7,12H2,1-3H3,(H,13,14);1-3H;2-4H,1H3,(H2,7,8)/t18-,19+;19-,20+;15-,16+;;8-,9+;;/m110.1../s1
InChIKeyMIOFMKHAPPKYLZ-SGTRZSDHSA-N
MW1950.25 g/mol
LogP21.01
Rot. Bonds19

About 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine

4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine (PubChem CID 159577217) has the molecular formula C104H132BrF2N23O8 and a molecular weight of 1950.25 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine
PubChem CID159577217
Molecular FormulaC104H132BrF2N23O8
Molecular Weight1950.25 g/mol
Exact Mass1947.98
IUPAC Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1cccc(N)n1.Cc1cccc(Nc2cc(F)ccc2C#N)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)ccc2C#N)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)ccc2C(N)=O)n1.N#Cc1ccc(F)cc1Br
InChIInChI=1S/C24H33N5O3.C24H31N5O2.C19H25N5O.C13H10FN3.C11H22N2O2.C7H3BrFN.C6H8N2/c1-15-8-7-11-21(26-15)28-20-14-16(12-13-17(20)22(25)30)27-18-9-5-6-10-19(18)29-23(31)32-24(2,3)4;1-16-8-7-11-22(26-16)28-21-14-18(13-12-17(21)15-25)27-19-9-5-6-10-20(19)29-23(30)31-24(2,3)4;1-12-5-4-8-18(22-12)24-17-11-13(9-10-14(17)19(21)25)23-16-7-3-2-6-15(16)20;1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;8-7-3-6(9)2-1-5(7)4-10;1-5-3-2-4-6(7)8-5/h7-8,11-14,18-19,27H,5-6,9-10H2,1-4H3,(H2,25,30)(H,26,28)(H,29,31);7-8,11-14,19-20,27H,5-6,9-10H2,1-4H3,(H,26,28)(H,29,30);4-5,8-11,15-16,23H,2-3,6-7,20H2,1H3,(H2,21,25)(H,22,24);2-7H,1H3,(H,16,17);8-9H,4-7,12H2,1-3H3,(H,13,14);1-3H;2-4H,1H3,(H2,7,8)/t18-,19+;19-,20+;15-,16+;;8-,9+;;/m110.1../s1
InChIKeyMIOFMKHAPPKYLZ-SGTRZSDHSA-N
XLogP21.01
TPSA499.26 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001950.25
LogP ≤ 521.01
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine?
The IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine (CID 159577217) is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine.
What is the SMILES notation for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine?
The canonical SMILES for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1cccc(N)n1.Cc1cccc(Nc2cc(F)ccc2C#N)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)ccc2C#N)n1.Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)ccc2C(N)=O)n1.N#Cc1ccc(F)cc1Br.
What is the InChIKey of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine?
The InChIKey is MIOFMKHAPPKYLZ-SGTRZSDHSA-N. The full InChI is InChI=1S/C24H33N5O3.C24H31N5O2.C19H25N5O.C13H10FN3.C11H22N2O2.C7H3BrFN.C6H8N2/c1-15-8-7-11-21(26-15)28-20-14-16(12-13-17(20)22(25)30)27-18-9-5-6-10-19(18)29-23(31)32-24(2,3)4;1-16-8-7-11-22(26-16)28-21-14-18(13-12-17(21)15-25)27-19-9-5-6-10-20(19)29-23(30)31-24(2,3)4;1-12-5-4-8-18(22-12)24-17-11-13(9-10-14(17)19(21)25)23-16-7-3-2-6-15(16)20;1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;8-7-3-6(9)2-1-5(7)4-10;1-5-3-2-4-6(7)8-5/h7-8,11-14,18-19,27H,5-6,9-10H2,1-4H3,(H2,25,30)(H,26,28)(H,29,31);7-8,11-14,19-20,27H,5-6,9-10H2,1-4H3,(H,26,28)(H,29,30);4-5,8-11,15-16,23H,2-3,6-7,20H2,1H3,(H2,21,25)(H,22,24);2-7H,1H3,(H,16,17);8-9H,4-7,12H2,1-3H3,(H,13,14);1-3H;2-4H,1H3,(H2,7,8)/t18-,19+;19-,20+;15-,16+;;8-,9+;;/m110.1../s1.
What are the key properties of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine?
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine has a molecular weight of 1950.25 g/mol, XLogP of 21.01, 19 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide;2-bromo-4-fluorobenzonitrile;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(6-methyl-2-pyridinyl)amino]anilino]cyclohexyl]carbamate;4-fluoro-2-[(6-methyl-2-pyridinyl)amino]benzonitrile;6-methylpyridin-2-amine is sourced from PubChem (CID 159577217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).