5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride

C44H29ClF14N6O12 — CID 159418736

IUPAC5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride
SMILESNC(=O)c1ccc(N)cn1.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Cl.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C22H14F7N3O6.C16H8ClF7O5.C6H7N3O/c1-35-16-7-11(37-21(24,25)26)3-5-15(16)36-17-8-12(38-22(27,28)29)6-13(23)18(17)20(34)32-10-2-4-14(19(30)33)31-9-10;1-26-11-5-7(28-15(19,20)21)2-3-10(11)27-12-6-8(29-16(22,23)24)4-9(18)13(12)14(17)25;7-4-1-2-5(6(8)10)9-3-4/h2-9H,1H3,(H2,30,33)(H,32,34);2-6H,1H3;1-3H,7H2,(H2,8,10)/i2*1D3;
InChIKeyLPMMRJFORQVSIL-CKFJQVKPSA-N
MW1141.21 g/mol
LogP10.74
Rot. Bonds17

About 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride

5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride (PubChem CID 159418736) has the molecular formula C44H29ClF14N6O12 and a molecular weight of 1141.21 g/mol. Its IUPAC name is 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride
PubChem CID159418736
Molecular FormulaC44H29ClF14N6O12
Molecular Weight1141.21 g/mol
Exact Mass1140.17
IUPAC Name5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride
SMILESNC(=O)c1ccc(N)cn1.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Cl.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C22H14F7N3O6.C16H8ClF7O5.C6H7N3O/c1-35-16-7-11(37-21(24,25)26)3-5-15(16)36-17-8-12(38-22(27,28)29)6-13(23)18(17)20(34)32-10-2-4-14(19(30)33)31-9-10;1-26-11-5-7(28-15(19,20)21)2-3-10(11)27-12-6-8(29-16(22,23)24)4-9(18)13(12)14(17)25;7-4-1-2-5(6(8)10)9-3-4/h2-9H,1H3,(H2,30,33)(H,32,34);2-6H,1H3;1-3H,7H2,(H2,8,10)/i2*1D3;
InChIKeyLPMMRJFORQVSIL-CKFJQVKPSA-N
XLogP10.74
TPSA257.99 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001141.21
LogP ≤ 510.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride with MolForge

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Related Compounds

5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406441
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
4-[[4-(cyclopenten-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645118
4-[[4-(cyclohexen-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645415
4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
CID 163494304
4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406601
4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
CID 161475679
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride?
The IUPAC name of 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride (CID 159418736) is 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride.
What is the SMILES notation for 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride?
The canonical SMILES for 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride is NC(=O)c1ccc(N)cn1.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Cl.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Nc1ccc(C(N)=O)nc1.
What is the InChIKey of 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride?
The InChIKey is LPMMRJFORQVSIL-CKFJQVKPSA-N. The full InChI is InChI=1S/C22H14F7N3O6.C16H8ClF7O5.C6H7N3O/c1-35-16-7-11(37-21(24,25)26)3-5-15(16)36-17-8-12(38-22(27,28)29)6-13(23)18(17)20(34)32-10-2-4-14(19(30)33)31-9-10;1-26-11-5-7(28-15(19,20)21)2-3-10(11)27-12-6-8(29-16(22,23)24)4-9(18)13(12)14(17)25;7-4-1-2-5(6(8)10)9-3-4/h2-9H,1H3,(H2,30,33)(H,32,34);2-6H,1H3;1-3H,7H2,(H2,8,10)/i2*1D3;.
What are the key properties of 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride?
5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride has a molecular weight of 1141.21 g/mol, XLogP of 10.74, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 159418736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).