tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline

C59H71Cl3N18O2 — CID 159383899

IUPACtert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.C[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)n1.C[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Nc2cccc(-n3nccn3)c2)n1.N#Cc1ccc(Cl)nc1Cl.Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C21H23N7.C13H16ClN3.C11H22N2O2.C8H8N4.C6H2Cl2N2/c1-15-5-2-3-8-19(15)26-20-10-9-16(14-22)21(27-20)25-17-6-4-7-18(13-17)28-23-11-12-24-28;1-9-4-2-3-5-11(9)16-12-7-6-10(8-15)13(14)17-12;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;9-7-2-1-3-8(6-7)12-10-4-5-11-12;7-5-2-1-4(3-9)6(8)10-5/h4,6-7,9-13,15,19H,2-3,5,8H2,1H3,(H2,25,26,27);6-7,9,11H,2-5H2,1H3,(H,16,17);8-9H,4-7,12H2,1-3H3,(H,13,14);1-6H,9H2;1-2H/t15-,19+;9-,11+;8-,9+;;/m001../s1
InChIKeyLLGGHOMFWQEICF-MGSQKHIBSA-N
MW1170.70 g/mol
LogP12.76
Rot. Bonds9

About tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline (PubChem CID 159383899) has the molecular formula C59H71Cl3N18O2 and a molecular weight of 1170.70 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline
PubChem CID159383899
Molecular FormulaC59H71Cl3N18O2
Molecular Weight1170.70 g/mol
Exact Mass1168.51
IUPAC Nametert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.C[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)n1.C[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Nc2cccc(-n3nccn3)c2)n1.N#Cc1ccc(Cl)nc1Cl.Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C21H23N7.C13H16ClN3.C11H22N2O2.C8H8N4.C6H2Cl2N2/c1-15-5-2-3-8-19(15)26-20-10-9-16(14-22)21(27-20)25-17-6-4-7-18(13-17)28-23-11-12-24-28;1-9-4-2-3-5-11(9)16-12-7-6-10(8-15)13(14)17-12;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;9-7-2-1-3-8(6-7)12-10-4-5-11-12;7-5-2-1-4(3-9)6(8)10-5/h4,6-7,9-13,15,19H,2-3,5,8H2,1H3,(H2,25,26,27);6-7,9,11H,2-5H2,1H3,(H,16,17);8-9H,4-7,12H2,1-3H3,(H,13,14);1-6H,9H2;1-2H/t15-,19+;9-,11+;8-,9+;;/m001../s1
InChIKeyLLGGHOMFWQEICF-MGSQKHIBSA-N
XLogP12.76
TPSA297.92 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001170.70
LogP ≤ 512.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline with MolForge

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Related Compounds

6-[[(1S,6S)-6-amino-2,2-difluorocyclohexyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2S)-2-amino-3,3-difluorocyclohexyl]carbamate;tert-butyl N-[(1S,2S)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]-3,3-difluorocyclohexyl]carbamate;tert-butyl N-[(1S,2S)-2-[[5-cyano-3-fluoro-6-[3-(triazol-2-yl)anilino]-2-pyridinyl]amino]-3,3-difluorocyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;3-(triazol-2-yl)aniline
CID 159544629
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
CID 69284244
tert-butyl N-[2-[[5-carbamoyl-4-[3-(triazol-2-yl)anilino]pyrimidin-2-yl]amino]-6-hydroxycyclohexyl]carbamate
CID 123343933
1-[2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidin-5-yl]ethanone
CID 59199821
2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 75040568
tert-butyl N-[(1S,2R)-2-[[6-cyano-5-[[6-(triazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]amino]cyclohexyl]carbamate
CID 131734334
1-[2-[[(1R,2S)-2-amino-3-methylcyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidin-5-yl]ethanone
CID 67476983
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-(3,5-dimethylanilino)pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 160999101
tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 59199793
methyl 4-cyano-2-(3-methylanilino)-6-[[(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexyl]amino]pyridine-3-carboxylate
CID 58317555
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline?
The IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline (CID 159383899) is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.C[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)n1.C[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Nc2cccc(-n3nccn3)c2)n1.N#Cc1ccc(Cl)nc1Cl.Nc1cccc(-n2nccn2)c1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline?
The InChIKey is LLGGHOMFWQEICF-MGSQKHIBSA-N. The full InChI is InChI=1S/C21H23N7.C13H16ClN3.C11H22N2O2.C8H8N4.C6H2Cl2N2/c1-15-5-2-3-8-19(15)26-20-10-9-16(14-22)21(27-20)25-17-6-4-7-18(13-17)28-23-11-12-24-28;1-9-4-2-3-5-11(9)16-12-7-6-10(8-15)13(14)17-12;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;9-7-2-1-3-8(6-7)12-10-4-5-11-12;7-5-2-1-4(3-9)6(8)10-5/h4,6-7,9-13,15,19H,2-3,5,8H2,1H3,(H2,25,26,27);6-7,9,11H,2-5H2,1H3,(H,16,17);8-9H,4-7,12H2,1-3H3,(H,13,14);1-6H,9H2;1-2H/t15-,19+;9-,11+;8-,9+;;/m001../s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline?
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline has a molecular weight of 1170.70 g/mol, XLogP of 12.76, 9 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline is sourced from PubChem (CID 159383899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).