3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide

C20H17ClF3N3O2 — CID 142777407

IUPAC3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(N)=O)C=CC(C(F)(F)F)=NC3C)ccc2Cl)nc1
InChIInChI=1S/C20H17ClF3N3O2/c1-11-19(18(25)28,8-7-17(27-11)20(22,23)24)12-3-5-15(21)14(9-12)16-6-4-13(29-2)10-26-16/h3-11H,1-2H3,(H2,25,28)
InChIKeyFZPMYZUAGQFXQZ-UHFFFAOYSA-N
MW423.82 g/mol
LogP4.10
Rot. Bonds4

About 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide

3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide (PubChem CID 142777407) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide
PubChem CID142777407
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC Name3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(N)=O)C=CC(C(F)(F)F)=NC3C)ccc2Cl)nc1
InChIInChI=1S/C20H17ClF3N3O2/c1-11-19(18(25)28,8-7-17(27-11)20(22,23)24)12-3-5-15(21)14(9-12)16-6-4-13(29-2)10-26-16/h3-11H,1-2H3,(H2,25,28)
InChIKeyFZPMYZUAGQFXQZ-UHFFFAOYSA-N
XLogP4.10
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide?
The IUPAC name of 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide (CID 142777407) is 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide is COc1ccc(-c2cc(C3(C(N)=O)C=CC(C(F)(F)F)=NC3C)ccc2Cl)nc1.
What is the InChIKey of 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide?
The InChIKey is FZPMYZUAGQFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c1-11-19(18(25)28,8-7-17(27-11)20(22,23)24)12-3-5-15(21)14(9-12)16-6-4-13(29-2)10-26-16/h3-11H,1-2H3,(H2,25,28).
What are the key properties of 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide?
3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide has a molecular weight of 423.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 142777407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).