[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane

C87H98F15N17O9 — CID 157330010

IUPAC[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
SMILESC.CC(C)C(CO)Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)C[C@H](N)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](C)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O2.C18H20F3N3O2.C17H19F3N4O2.C17H18F3N3O.C16H16F3N3O2.CH4/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)15(25-14)16(26)12-4-3-7-24-17(12)23;1-10(2)11(3)9-26-14-7-6-13(18(19,20)21)15(24-14)16(25)12-5-4-8-23-17(12)22;1-9(2)12(8-25)23-13-6-5-11(17(18,19)20)14(24-13)15(26)10-4-3-7-22-16(10)21;1-2-3-4-6-11-8-9-13(17(18,19)20)14(23-11)15(24)12-7-5-10-22-16(12)21;1-2-3-9-24-12-7-6-11(16(17,18)19)13(22-12)14(23)10-5-4-8-21-15(10)20;/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24);4-8,10-11H,9H2,1-3H3,(H2,22,23);3-7,9,12,25H,8H2,1-2H3,(H2,21,22)(H,23,24);5,7-10H,2-4,6H2,1H3,(H2,21,22);4-8H,2-3,9H2,1H3,(H2,20,21);1H4/t2*11-;;;;/m01..../s1
InChIKeyBFEGPNIPGTUWHX-HPRPIBEPSA-N
MW1810.82 g/mol
LogP17.94
Rot. Bonds31

About [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane

[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane (PubChem CID 157330010) has the molecular formula C87H98F15N17O9 and a molecular weight of 1810.82 g/mol. Its IUPAC name is [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane.

Molecular Properties

Compound Name[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
PubChem CID157330010
Molecular FormulaC87H98F15N17O9
Molecular Weight1810.82 g/mol
Exact Mass1809.75
IUPAC Name[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
SMILESC.CC(C)C(CO)Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)C[C@H](N)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](C)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O2.C18H20F3N3O2.C17H19F3N4O2.C17H18F3N3O.C16H16F3N3O2.CH4/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)15(25-14)16(26)12-4-3-7-24-17(12)23;1-10(2)11(3)9-26-14-7-6-13(18(19,20)21)15(24-14)16(25)12-5-4-8-23-17(12)22;1-9(2)12(8-25)23-13-6-5-11(17(18,19)20)14(24-13)15(26)10-4-3-7-22-16(10)21;1-2-3-4-6-11-8-9-13(17(18,19)20)14(23-11)15(24)12-7-5-10-22-16(12)21;1-2-3-9-24-12-7-6-11(16(17,18)19)13(22-12)14(23)10-5-4-8-21-15(10)20;/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24);4-8,10-11H,9H2,1-3H3,(H2,22,23);3-7,9,12,25H,8H2,1-2H3,(H2,21,22)(H,23,24);5,7-10H,2-4,6H2,1H3,(H2,21,22);4-8H,2-3,9H2,1H3,(H2,20,21);1H4/t2*11-;;;;/m01..../s1
InChIKeyBFEGPNIPGTUWHX-HPRPIBEPSA-N
XLogP17.94
TPSA430.32 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001810.82
LogP ≤ 517.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
[6-(3-Amino-3-phenylpropoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816616
[6-[2-Amino-2-(oxan-4-yl)ethoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816955
[6-(2-Amino-2-phenylbutoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44817132
[6-[(2S)-2-amino-3,3-dimethylbutoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 45107866
[6-(2-Amino-2-phenylethoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690666
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690821
[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207395
[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739791
[6-[(2S)-2-amino-3-methylbutoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 67739905
[6-(2-Amino-3,3-dimethylbutoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 75092532
N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 87192323

Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane?
The IUPAC name of [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane (CID 157330010) is [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane.
What is the SMILES notation for [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane?
The canonical SMILES for [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane is C.CC(C)C(CO)Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)C[C@H](N)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](C)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.
What is the InChIKey of [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane?
The InChIKey is BFEGPNIPGTUWHX-HPRPIBEPSA-N. The full InChI is InChI=1S/C18H21F3N4O2.C18H20F3N3O2.C17H19F3N4O2.C17H18F3N3O.C16H16F3N3O2.CH4/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)15(25-14)16(26)12-4-3-7-24-17(12)23;1-10(2)11(3)9-26-14-7-6-13(18(19,20)21)15(24-14)16(25)12-5-4-8-23-17(12)22;1-9(2)12(8-25)23-13-6-5-11(17(18,19)20)14(24-13)15(26)10-4-3-7-22-16(10)21;1-2-3-4-6-11-8-9-13(17(18,19)20)14(23-11)15(24)12-7-5-10-22-16(12)21;1-2-3-9-24-12-7-6-11(16(17,18)19)13(22-12)14(23)10-5-4-8-21-15(10)20;/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24);4-8,10-11H,9H2,1-3H3,(H2,22,23);3-7,9,12,25H,8H2,1-2H3,(H2,21,22)(H,23,24);5,7-10H,2-4,6H2,1H3,(H2,21,22);4-8H,2-3,9H2,1H3,(H2,20,21);1H4/t2*11-;;;;/m01..../s1.
What are the key properties of [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane?
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane has a molecular weight of 1810.82 g/mol, XLogP of 17.94, 31 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane is sourced from PubChem (CID 157330010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).