4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride

C44H27ClF16N6O8 — CID 161499758

IUPAC4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride
SMILESNC(=O)c1cc(N)ccn1.NC(=O)c1cc(NC(=O)c2cc(C(F)(F)C(F)(F)F)ccc2Oc2ccc(OC(F)(F)F)cc2)ccn1.O=C(Cl)c1cc(C(F)(F)C(F)(F)F)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H13F8N3O4.C16H7ClF8O3.C6H7N3O/c23-20(24,21(25,26)27)11-1-6-17(36-13-2-4-14(5-3-13)37-22(28,29)30)15(9-11)19(35)33-12-7-8-32-16(10-12)18(31)34;17-13(26)11-7-8(14(18,19)15(20,21)22)1-6-12(11)27-9-2-4-10(5-3-9)28-16(23,24)25;7-4-1-2-9-5(3-4)6(8)10/h1-10H,(H2,31,34)(H,32,33,35);1-7H;1-3H,(H2,7,9)(H2,8,10)
InChIKeyWGRKWVIAMHFCOF-UHFFFAOYSA-N
MW1107.15 g/mol
LogP11.95
Rot. Bonds13

About 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride

4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride (PubChem CID 161499758) has the molecular formula C44H27ClF16N6O8 and a molecular weight of 1107.15 g/mol. Its IUPAC name is 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride.

Molecular Properties

Compound Name4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride
PubChem CID161499758
Molecular FormulaC44H27ClF16N6O8
Molecular Weight1107.15 g/mol
Exact Mass1106.13
IUPAC Name4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride
SMILESNC(=O)c1cc(N)ccn1.NC(=O)c1cc(NC(=O)c2cc(C(F)(F)C(F)(F)F)ccc2Oc2ccc(OC(F)(F)F)cc2)ccn1.O=C(Cl)c1cc(C(F)(F)C(F)(F)F)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H13F8N3O4.C16H7ClF8O3.C6H7N3O/c23-20(24,21(25,26)27)11-1-6-17(36-13-2-4-14(5-3-13)37-22(28,29)30)15(9-11)19(35)33-12-7-8-32-16(10-12)18(31)34;17-13(26)11-7-8(14(18,19)15(20,21)22)1-6-12(11)27-9-2-4-10(5-3-9)28-16(23,24)25;7-4-1-2-9-5(3-4)6(8)10/h1-10H,(H2,31,34)(H,32,33,35);1-7H;1-3H,(H2,7,9)(H2,8,10)
InChIKeyWGRKWVIAMHFCOF-UHFFFAOYSA-N
XLogP11.95
TPSA221.07 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.15
LogP ≤ 511.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride with MolForge

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Related Compounds

4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride
CID 162220539
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
4-[[3-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645427
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
CID 137406845
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645523
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370757
N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 137406698
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790

Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride?
The IUPAC name of 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride (CID 161499758) is 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride.
What is the SMILES notation for 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride?
The canonical SMILES for 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride is NC(=O)c1cc(N)ccn1.NC(=O)c1cc(NC(=O)c2cc(C(F)(F)C(F)(F)F)ccc2Oc2ccc(OC(F)(F)F)cc2)ccn1.O=C(Cl)c1cc(C(F)(F)C(F)(F)F)ccc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride?
The InChIKey is WGRKWVIAMHFCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F8N3O4.C16H7ClF8O3.C6H7N3O/c23-20(24,21(25,26)27)11-1-6-17(36-13-2-4-14(5-3-13)37-22(28,29)30)15(9-11)19(35)33-12-7-8-32-16(10-12)18(31)34;17-13(26)11-7-8(14(18,19)15(20,21)22)1-6-12(11)27-9-2-4-10(5-3-9)28-16(23,24)25;7-4-1-2-9-5(3-4)6(8)10/h1-10H,(H2,31,34)(H,32,33,35);1-7H;1-3H,(H2,7,9)(H2,8,10).
What are the key properties of 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride?
4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride has a molecular weight of 1107.15 g/mol, XLogP of 11.95, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride is sourced from PubChem (CID 161499758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).