6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane

C84H103ClF8N14O3Sn — CID 159949288

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C)n1.Cc1cccc(-c2cc(C(=O)O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cccc(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.[C-]#[N+]c1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.[C-]#[N+]c1cc(NC2CCC(F)(F)CC2)nc(-c2cccc(C)n2)c1
InChIInChI=1S/C18H18F2N4.C18H19F2N3O2.C18H21F2N3O.C12H12ClF2N3.C6H6N.3C4H9.Sn/c1-12-4-3-5-15(22-12)16-10-14(21-2)11-17(24-16)23-13-6-8-18(19,20)9-7-13;1-11-3-2-4-14(21-11)15-9-12(17(24)25)10-16(23-15)22-13-5-7-18(19,20)8-6-13;1-12-3-2-4-15(21-12)16-9-13(11-24)10-17(23-16)22-14-5-7-18(19,20)8-6-14;1-16-9-6-10(13)18-11(7-9)17-8-2-4-12(14,15)5-3-8;1-6-4-2-3-5-7-6;3*1-3-4-2;/h3-5,10-11,13H,6-9H2,1H3,(H,23,24);2-4,9-10,13H,5-8H2,1H3,(H,22,23)(H,24,25);2-4,9-10,14,24H,5-8,11H2,1H3,(H,22,23);6-8H,2-5H2,(H,17,18);2-4H,1H3;3*1,3-4H2,2H3;
InChIKeyOBWYPOSVRNLHAQ-UHFFFAOYSA-N
MW1662.99 g/mol
LogP22.79
Rot. Bonds23

About 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane

6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane (PubChem CID 159949288) has the molecular formula C84H103ClF8N14O3Sn and a molecular weight of 1662.99 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane
PubChem CID159949288
Molecular FormulaC84H103ClF8N14O3Sn
Molecular Weight1662.99 g/mol
Exact Mass1662.69
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C)n1.Cc1cccc(-c2cc(C(=O)O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cccc(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.[C-]#[N+]c1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.[C-]#[N+]c1cc(NC2CCC(F)(F)CC2)nc(-c2cccc(C)n2)c1
InChIInChI=1S/C18H18F2N4.C18H19F2N3O2.C18H21F2N3O.C12H12ClF2N3.C6H6N.3C4H9.Sn/c1-12-4-3-5-15(22-12)16-10-14(21-2)11-17(24-16)23-13-6-8-18(19,20)9-7-13;1-11-3-2-4-14(21-11)15-9-12(17(24)25)10-16(23-15)22-13-5-7-18(19,20)8-6-13;1-12-3-2-4-15(21-12)16-9-13(11-24)10-17(23-16)22-14-5-7-18(19,20)8-6-14;1-16-9-6-10(13)18-11(7-9)17-8-2-4-12(14,15)5-3-8;1-6-4-2-3-5-7-6;3*1-3-4-2;/h3-5,10-11,13H,6-9H2,1H3,(H,23,24);2-4,9-10,13H,5-8H2,1H3,(H,22,23)(H,24,25);2-4,9-10,14,24H,5-8,11H2,1H3,(H,22,23);6-8H,2-5H2,(H,17,18);2-4H,1H3;3*1,3-4H2,2H3;
InChIKeyOBWYPOSVRNLHAQ-UHFFFAOYSA-N
XLogP22.79
TPSA217.49 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001662.99
LogP ≤ 522.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane with MolForge

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Related Compounds

4-[[6-(4,4-Difluoropiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4,4-difluoropiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate
CID 161302887
6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-1H-pyridin-4-one;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane
CID 161561603
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-methoxypyrimidin-4-amine;4,6-dichloro-2-methoxypyrimidine;2-(4-fluorophenyl)ethanamine;3-[6-[2-(4-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid;hydrochloride
CID 157589583
6-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxypyrimidin-4-amine;3-[6-[2-(4-chlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid;4,6-dichloro-2-methoxypyrimidine
CID 158378598
3-boronobenzoic acid;6-chloro-N-[2-(2,4-difluorophenyl)ethyl]-2-methoxypyrimidin-4-amine;4,6-dichloro-2-methoxypyrimidine;2-(2,4-difluorophenyl)ethanamine;2-(2,4-difluorophenyl)ethenylideneazanide;3-[6-[2-(2,4-difluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid
CID 160733639
Bis(6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid);1-[6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]ethanone;2,6-difluoroaniline;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
CID 161646810
3-boronobenzoic acid;6-chloro-N-[2-(2,4-difluorophenyl)ethyl]-2-methoxypyrimidin-4-amine;4,6-dichloro-2-methoxypyrimidine;2,4-difluoro-1-(isocyanomethyl)benzene;2-(2,4-difluorophenyl)ethanamine;3-[6-[2-(2,4-difluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid;methane
CID 162233733

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane (CID 159949288) is 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane is CCCC[Sn](CCCC)(CCCC)c1cccc(C)n1.Cc1cccc(-c2cc(C(=O)O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cccc(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.[C-]#[N+]c1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.[C-]#[N+]c1cc(NC2CCC(F)(F)CC2)nc(-c2cccc(C)n2)c1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane?
The InChIKey is OBWYPOSVRNLHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4.C18H19F2N3O2.C18H21F2N3O.C12H12ClF2N3.C6H6N.3C4H9.Sn/c1-12-4-3-5-15(22-12)16-10-14(21-2)11-17(24-16)23-13-6-8-18(19,20)9-7-13;1-11-3-2-4-14(21-11)15-9-12(17(24)25)10-16(23-15)22-13-5-7-18(19,20)8-6-13;1-12-3-2-4-15(21-12)16-9-13(11-24)10-17(23-16)22-14-5-7-18(19,20)8-6-14;1-16-9-6-10(13)18-11(7-9)17-8-2-4-12(14,15)5-3-8;1-6-4-2-3-5-7-6;3*1-3-4-2;/h3-5,10-11,13H,6-9H2,1H3,(H,23,24);2-4,9-10,13H,5-8H2,1H3,(H,22,23)(H,24,25);2-4,9-10,14,24H,5-8,11H2,1H3,(H,22,23);6-8H,2-5H2,(H,17,18);2-4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane?
6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane has a molecular weight of 1662.99 g/mol, XLogP of 22.79, 23 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-4-isocyanopyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(6-methyl-2-pyridinyl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane is sourced from PubChem (CID 159949288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).