6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H21F3N4O — CID 155883668

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C2CCC3NNCC3C2)n1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)14-5-7-15(8-6-14)25-19(28)18-3-1-2-16(26-18)12-4-9-17-13(10-12)11-24-27-17/h1-3,5-8,12-13,17,24,27H,4,9-11H2,(H,25,28)
InChIKeyGWKDASQJHCRPAE-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.71
Rot. Bonds3

About 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 155883668) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID155883668
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C2CCC3NNCC3C2)n1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)14-5-7-15(8-6-14)25-19(28)18-3-1-2-16(26-18)12-4-9-17-13(10-12)11-24-27-17/h1-3,5-8,12-13,17,24,27H,4,9-11H2,(H,25,28)
InChIKeyGWKDASQJHCRPAE-UHFFFAOYSA-N
XLogP3.71
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200265
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
2-cyclopropyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854074
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
6-N-cyclopentyl-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095033
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 155883668) is 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C2CCC3NNCC3C2)n1.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is GWKDASQJHCRPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)14-5-7-15(8-6-14)25-19(28)18-3-1-2-16(26-18)12-4-9-17-13(10-12)11-24-27-17/h1-3,5-8,12-13,17,24,27H,4,9-11H2,(H,25,28).
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 155883668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).