3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

C18H14ClF3N4O2 — CID 2468983

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)n1
InChIInChI=1S/C18H14ClF3N4O2/c1-10-9-11(2)26(25-10)15-8-7-14(19)16(24-15)17(27)23-12-3-5-13(6-4-12)28-18(20,21)22/h3-9H,1-2H3,(H,23,27)
InChIKeyNDIFCTKBXNARRZ-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.69
Rot. Bonds4

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 2468983) has the molecular formula C18H14ClF3N4O2 and a molecular weight of 410.78 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID2468983
Molecular FormulaC18H14ClF3N4O2
Molecular Weight410.78 g/mol
Exact Mass410.08
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)n1
InChIInChI=1S/C18H14ClF3N4O2/c1-10-9-11(2)26(25-10)15-8-7-14(19)16(24-15)17(27)23-12-3-5-13(6-4-12)28-18(20,21)22/h3-9H,1-2H3,(H,23,27)
InChIKeyNDIFCTKBXNARRZ-UHFFFAOYSA-N
XLogP4.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 2468983) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is NDIFCTKBXNARRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2/c1-10-9-11(2)26(25-10)15-8-7-14(19)16(24-15)17(27)23-12-3-5-13(6-4-12)28-18(20,21)22/h3-9H,1-2H3,(H,23,27).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 2468983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).