6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline

C81H109Cl5IN20O6P — CID 158175788

IUPAC6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline
SMILESCN.CNC(=O)c1ccc(Cl)nc1Cl.CNC(=O)c1ccc(Cl)nc1Nc1cccc(C)c1.CNC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(C)c1.Cc1cccc(N)c1.Cc1cccc(Nc2nc(NC3CCCCC3N)ccc2C(N)=O)c1.N[C@@H]1CCCC[C@@H]1N.O=C(O)c1ccc(Cl)nc1Cl.[2H]I(C)P
InChIInChI=1S/C20H27N5O.C19H25N5O.C14H14ClN3O.C7H6Cl2N2O.C7H9N.C6H3Cl2NO2.C6H14N2.CH6IP.CH5N/c1-13-6-5-7-14(12-13)23-19-15(20(26)22-2)10-11-18(25-19)24-17-9-4-3-8-16(17)21;1-12-5-4-6-13(11-12)22-19-14(18(21)25)9-10-17(24-19)23-16-8-3-2-7-15(16)20;1-9-4-3-5-10(8-9)17-13-11(14(19)16-2)6-7-12(15)18-13;1-10-7(12)4-2-3-5(8)11-6(4)9;1-6-3-2-4-7(8)5-6;7-4-2-1-3(6(10)11)5(8)9-4;7-5-3-1-2-4-6(5)8;1-2-3;1-2/h5-7,10-12,16-17H,3-4,8-9,21H2,1-2H3,(H,22,26)(H2,23,24,25);4-6,9-11,15-16H,2-3,7-8,20H2,1H3,(H2,21,25)(H2,22,23,24);3-8H,1-2H3,(H,16,19)(H,17,18);2-3H,1H3,(H,10,12);2-5H,8H2,1H3;1-2H,(H,10,11);5-6H,1-4,7-8H2;2H,3H2,1H3;2H2,1H3/t;;;;;;5-,6+;;/i;;;;;;;2D;
InChIKeyFXZDEEOOXJMGIL-JNTMQARTSA-N
MW1795.05 g/mol
LogP15.55
Rot. Bonds15

About 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline

6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline (PubChem CID 158175788) has the molecular formula C81H109Cl5IN20O6P and a molecular weight of 1795.05 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline
PubChem CID158175788
Molecular FormulaC81H109Cl5IN20O6P
Molecular Weight1795.05 g/mol
Exact Mass1791.61
IUPAC Name6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline
SMILESCN.CNC(=O)c1ccc(Cl)nc1Cl.CNC(=O)c1ccc(Cl)nc1Nc1cccc(C)c1.CNC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(C)c1.Cc1cccc(N)c1.Cc1cccc(Nc2nc(NC3CCCCC3N)ccc2C(N)=O)c1.N[C@@H]1CCCC[C@@H]1N.O=C(O)c1ccc(Cl)nc1Cl.[2H]I(C)P
InChIInChI=1S/C20H27N5O.C19H25N5O.C14H14ClN3O.C7H6Cl2N2O.C7H9N.C6H3Cl2NO2.C6H14N2.CH6IP.CH5N/c1-13-6-5-7-14(12-13)23-19-15(20(26)22-2)10-11-18(25-19)24-17-9-4-3-8-16(17)21;1-12-5-4-6-13(11-12)22-19-14(18(21)25)9-10-17(24-19)23-16-8-3-2-7-15(16)20;1-9-4-3-5-10(8-9)17-13-11(14(19)16-2)6-7-12(15)18-13;1-10-7(12)4-2-3-5(8)11-6(4)9;1-6-3-2-4-7(8)5-6;7-4-2-1-3(6(10)11)5(8)9-4;7-5-3-1-2-4-6(5)8;1-2-3;1-2/h5-7,10-12,16-17H,3-4,8-9,21H2,1-2H3,(H,22,26)(H2,23,24,25);4-6,9-11,15-16H,2-3,7-8,20H2,1H3,(H2,21,25)(H2,22,23,24);3-8H,1-2H3,(H,16,19)(H,17,18);2-3H,1H3,(H,10,12);2-5H,8H2,1H3;1-2H,(H,10,11);5-6H,1-4,7-8H2;2H,3H2,1H3;2H2,1H3/t;;;;;;5-,6+;;/i;;;;;;;2D;
InChIKeyFXZDEEOOXJMGIL-JNTMQARTSA-N
XLogP15.55
TPSA448.41 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001795.05
LogP ≤ 515.55
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline (CID 158175788) is 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline is CN.CNC(=O)c1ccc(Cl)nc1Cl.CNC(=O)c1ccc(Cl)nc1Nc1cccc(C)c1.CNC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(C)c1.Cc1cccc(N)c1.Cc1cccc(Nc2nc(NC3CCCCC3N)ccc2C(N)=O)c1.N[C@@H]1CCCC[C@@H]1N.O=C(O)c1ccc(Cl)nc1Cl.[2H]I(C)P.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline?
The InChIKey is FXZDEEOOXJMGIL-JNTMQARTSA-N. The full InChI is InChI=1S/C20H27N5O.C19H25N5O.C14H14ClN3O.C7H6Cl2N2O.C7H9N.C6H3Cl2NO2.C6H14N2.CH6IP.CH5N/c1-13-6-5-7-14(12-13)23-19-15(20(26)22-2)10-11-18(25-19)24-17-9-4-3-8-16(17)21;1-12-5-4-6-13(11-12)22-19-14(18(21)25)9-10-17(24-19)23-16-8-3-2-7-15(16)20;1-9-4-3-5-10(8-9)17-13-11(14(19)16-2)6-7-12(15)18-13;1-10-7(12)4-2-3-5(8)11-6(4)9;1-6-3-2-4-7(8)5-6;7-4-2-1-3(6(10)11)5(8)9-4;7-5-3-1-2-4-6(5)8;1-2-3;1-2/h5-7,10-12,16-17H,3-4,8-9,21H2,1-2H3,(H,22,26)(H2,23,24,25);4-6,9-11,15-16H,2-3,7-8,20H2,1H3,(H2,21,25)(H2,22,23,24);3-8H,1-2H3,(H,16,19)(H,17,18);2-3H,1H3,(H,10,12);2-5H,8H2,1H3;1-2H,(H,10,11);5-6H,1-4,7-8H2;2H,3H2,1H3;2H2,1H3/t;;;;;;5-,6+;;/i;;;;;;;2D;.
What are the key properties of 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline?
6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline has a molecular weight of 1795.05 g/mol, XLogP of 15.55, 15 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide;6-[(2-aminocyclohexyl)amino]-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;6-chloro-N-methyl-2-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine;[deuterio(methyl)-λ3-iodanyl]phosphane;2,6-dichloro-N-methylpyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;methanamine;3-methylaniline is sourced from PubChem (CID 158175788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).