6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate

C64H61F9N18O9 — CID 161290312

IUPAC6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1
InChIInChI=1S/C24H25F3N6O4.C21H19F3N6O3.C19H17F3N6O2/c1-23(2,3)37-22(36)31-18-10-9-15(13-30-18)20(34)28-11-12-29-21(35)17-14-33(16-7-5-4-6-8-16)32-19(17)24(25,26)27;1-13(31)28-17-8-7-14(11-27-17)19(32)25-9-10-26-20(33)16-12-30(15-5-3-2-4-6-15)29-18(16)21(22,23)24;20-19(21,22)16-14(11-28(27-16)13-4-2-1-3-5-13)18(30)25-9-8-24-17(29)12-6-7-15(23)26-10-12/h4-10,13-14H,11-12H2,1-3H3,(H,28,34)(H,29,35)(H,30,31,36);2-8,11-12H,9-10H2,1H3,(H,25,32)(H,26,33)(H,27,28,31);1-7,10-11H,8-9H2,(H2,23,26)(H,24,29)(H,25,30)
InChIKeyVGGJQFLNSOTXHI-UHFFFAOYSA-N
MW1397.29 g/mol
LogP8.23
Rot. Bonds20

About 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate

6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate (PubChem CID 161290312) has the molecular formula C64H61F9N18O9 and a molecular weight of 1397.29 g/mol. Its IUPAC name is 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate
PubChem CID161290312
Molecular FormulaC64H61F9N18O9
Molecular Weight1397.29 g/mol
Exact Mass1396.47
IUPAC Name6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1
InChIInChI=1S/C24H25F3N6O4.C21H19F3N6O3.C19H17F3N6O2/c1-23(2,3)37-22(36)31-18-10-9-15(13-30-18)20(34)28-11-12-29-21(35)17-14-33(16-7-5-4-6-8-16)32-19(17)24(25,26)27;1-13(31)28-17-8-7-14(11-27-17)19(32)25-9-10-26-20(33)16-12-30(15-5-3-2-4-6-15)29-18(16)21(22,23)24;20-19(21,22)16-14(11-28(27-16)13-4-2-1-3-5-13)18(30)25-9-8-24-17(29)12-6-7-15(23)26-10-12/h4-10,13-14H,11-12H2,1-3H3,(H,28,34)(H,29,35)(H,30,31,36);2-8,11-12H,9-10H2,1H3,(H,25,32)(H,26,33)(H,27,28,31);1-7,10-11H,8-9H2,(H2,23,26)(H,24,29)(H,25,30)
InChIKeyVGGJQFLNSOTXHI-UHFFFAOYSA-N
XLogP8.23
TPSA360.18 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001397.29
LogP ≤ 58.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate?
The IUPAC name of 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate (CID 161290312) is 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate.
What is the SMILES notation for 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate?
The canonical SMILES for 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate is CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.Nc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.
What is the InChIKey of 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate?
The InChIKey is VGGJQFLNSOTXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O4.C21H19F3N6O3.C19H17F3N6O2/c1-23(2,3)37-22(36)31-18-10-9-15(13-30-18)20(34)28-11-12-29-21(35)17-14-33(16-7-5-4-6-8-16)32-19(17)24(25,26)27;1-13(31)28-17-8-7-14(11-27-17)19(32)25-9-10-26-20(33)16-12-30(15-5-3-2-4-6-15)29-18(16)21(22,23)24;20-19(21,22)16-14(11-28(27-16)13-4-2-1-3-5-13)18(30)25-9-8-24-17(29)12-6-7-15(23)26-10-12/h4-10,13-14H,11-12H2,1-3H3,(H,28,34)(H,29,35)(H,30,31,36);2-8,11-12H,9-10H2,1H3,(H,25,32)(H,26,33)(H,27,28,31);1-7,10-11H,8-9H2,(H2,23,26)(H,24,29)(H,25,30).
What are the key properties of 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate?
6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate has a molecular weight of 1397.29 g/mol, XLogP of 8.23, 20 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-amino-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 161290312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).