2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine

C79H76F16N12O19S3 — CID 158671894

IUPAC2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine
SMILESCCOC(=O)c1ccc(C(=O)O)nc1C.CCOC(=O)c1ccc(C(=O)OCC)c(N)n1.CCOC(=O)c1ccc(C(F)F)nc1C.CS(=O)(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.CS(=O)(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.Cc1nc(C(F)(F)F)ccc1S(C)(=O)=O.Cc1nc(C(F)F)ccc1C(=O)O.NC(=O)c1ccc(C(F)(F)F)nc1N
InChIInChI=1S/C13H10F3NO2S.C12H9F3N2O2S.C11H14N2O4.C10H11F2NO2.C10H11NO4.C8H8F3NO2S.C8H7F2NO2.C7H6F3N3O/c1-20(18,19)10-7-8-11(13(14,15)16)17-12(10)9-5-3-2-4-6-9;1-20(18,19)9-5-6-10(12(13,14)15)17-11(9)8-4-2-3-7-16-8;1-3-16-10(14)7-5-6-8(13-9(7)12)11(15)17-4-2;1-3-15-10(14)7-4-5-8(9(11)12)13-6(7)2;1-3-15-10(14)7-4-5-8(9(12)13)11-6(7)2;1-5-6(15(2,13)14)3-4-7(12-5)8(9,10)11;1-4-5(8(12)13)2-3-6(11-4)7(9)10;8-7(9,10)4-2-1-3(6(12)14)5(11)13-4/h2-8H,1H3;2-7H,1H3;5-6H,3-4H2,1-2H3,(H2,12,13);4-5,9H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,12,13);3-4H,1-2H3;2-3,7H,1H3,(H,12,13);1-2H,(H2,11,13)(H2,12,14)
InChIKeyIEAYCSJXCWSPGT-UHFFFAOYSA-N
MW1897.71 g/mol
LogP15.14
Rot. Bonds18

About 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine

2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 158671894) has the molecular formula C79H76F16N12O19S3 and a molecular weight of 1897.71 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine
PubChem CID158671894
Molecular FormulaC79H76F16N12O19S3
Molecular Weight1897.71 g/mol
Exact Mass1896.43
IUPAC Name2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine
SMILESCCOC(=O)c1ccc(C(=O)O)nc1C.CCOC(=O)c1ccc(C(=O)OCC)c(N)n1.CCOC(=O)c1ccc(C(F)F)nc1C.CS(=O)(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.CS(=O)(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.Cc1nc(C(F)(F)F)ccc1S(C)(=O)=O.Cc1nc(C(F)F)ccc1C(=O)O.NC(=O)c1ccc(C(F)(F)F)nc1N
InChIInChI=1S/C13H10F3NO2S.C12H9F3N2O2S.C11H14N2O4.C10H11F2NO2.C10H11NO4.C8H8F3NO2S.C8H7F2NO2.C7H6F3N3O/c1-20(18,19)10-7-8-11(13(14,15)16)17-12(10)9-5-3-2-4-6-9;1-20(18,19)9-5-6-10(12(13,14)15)17-11(9)8-4-2-3-7-16-8;1-3-16-10(14)7-5-6-8(13-9(7)12)11(15)17-4-2;1-3-15-10(14)7-4-5-8(9(11)12)13-6(7)2;1-3-15-10(14)7-4-5-8(9(12)13)11-6(7)2;1-5-6(15(2,13)14)3-4-7(12-5)8(9,10)11;1-4-5(8(12)13)2-3-6(11-4)7(9)10;8-7(9,10)4-2-1-3(6(12)14)5(11)13-4/h2-8H,1H3;2-7H,1H3;5-6H,3-4H2,1-2H3,(H2,12,13);4-5,9H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,12,13);3-4H,1-2H3;2-3,7H,1H3,(H,12,13);1-2H,(H2,11,13)(H2,12,14)
InChIKeyIEAYCSJXCWSPGT-UHFFFAOYSA-N
XLogP15.14
TPSA493.36 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001897.71
LogP ≤ 515.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
6-[2-[6-[(1R,6R,7R)-9-amino-4,4-difluoro-7,10,10-trimethyl-1-oxo-1lambda6-thia-2,8-diazabicyclo[4.4.0]deca-1,8-dien-7-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carboxylic acid;tert-butyl 2-[(1R,6R,7R)-7-(6-amino-3-fluoro-2-pyridinyl)-4,4-difluoro-7,10,10-trimethyl-1-oxo-1lambda6-thia-2,8-diazabicyclo[4.4.0]deca-1,8-dien-9-yl]acetate;tert-butyl 6-[2-[6-[(1R,6R,7R)-4,4-difluoro-7,10,10-trimethyl-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-oxo-1lambda6-thia-2,8-diazabicyclo[4.4.0]deca-1,8-dien-7-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carboxylate
CID 161514369
3,5-difluoro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-carboxamide;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;[4-(2-hydroxyethyl)piperazin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone;5-methoxy-2-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;bis(morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone);6-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;(6-propan-2-yl-3-pyridinyl)methanol
CID 158701723
N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;N,N-dimethyl-4-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-6-propan-2-ylpyrimidine;4-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine;[4-(2-hydroxyethyl)piperazin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone;2-methoxy-4-propan-2-ylpyrimidine;(4-methylpiperazin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;4-methyl-2-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;(6-propan-2-yl-3-pyridinyl)methanol
CID 161677518

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine (CID 158671894) is 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine is CCOC(=O)c1ccc(C(=O)O)nc1C.CCOC(=O)c1ccc(C(=O)OCC)c(N)n1.CCOC(=O)c1ccc(C(F)F)nc1C.CS(=O)(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.CS(=O)(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.Cc1nc(C(F)(F)F)ccc1S(C)(=O)=O.Cc1nc(C(F)F)ccc1C(=O)O.NC(=O)c1ccc(C(F)(F)F)nc1N.
What is the InChIKey of 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is IEAYCSJXCWSPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S.C12H9F3N2O2S.C11H14N2O4.C10H11F2NO2.C10H11NO4.C8H8F3NO2S.C8H7F2NO2.C7H6F3N3O/c1-20(18,19)10-7-8-11(13(14,15)16)17-12(10)9-5-3-2-4-6-9;1-20(18,19)9-5-6-10(12(13,14)15)17-11(9)8-4-2-3-7-16-8;1-3-16-10(14)7-5-6-8(13-9(7)12)11(15)17-4-2;1-3-15-10(14)7-4-5-8(9(11)12)13-6(7)2;1-3-15-10(14)7-4-5-8(9(12)13)11-6(7)2;1-5-6(15(2,13)14)3-4-7(12-5)8(9,10)11;1-4-5(8(12)13)2-3-6(11-4)7(9)10;8-7(9,10)4-2-1-3(6(12)14)5(11)13-4/h2-8H,1H3;2-7H,1H3;5-6H,3-4H2,1-2H3,(H2,12,13);4-5,9H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,12,13);3-4H,1-2H3;2-3,7H,1H3,(H,12,13);1-2H,(H2,11,13)(H2,12,14).
What are the key properties of 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine?
2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 1897.71 g/mol, XLogP of 15.14, 18 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)pyridine-3-carboxamide;diethyl 6-aminopyridine-2,5-dicarboxylate;6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid;5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid;ethyl 6-(difluoromethyl)-2-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-phenyl-6-(trifluoromethyl)pyridine;3-methylsulfonyl-2-pyridin-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 158671894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).