6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H13F3N4O — CID 118413998

IUPAC6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C20H13F3N4O/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/h1-11H,(H,24,27)(H,25,28)
InChIKeyAEZMCALNQJTLPD-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.90
Rot. Bonds3

About 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 118413998) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID118413998
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C20H13F3N4O/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/h1-11H,(H,24,27)(H,25,28)
InChIKeyAEZMCALNQJTLPD-UHFFFAOYSA-N
XLogP4.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 118413998) is 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AEZMCALNQJTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/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/h1-11H,(H,24,27)(H,25,28).
What are the key properties of 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118413998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).