5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H13ClF3N3O3 — CID 166487502

IUPAC5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3cc(Cl)ccn3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13ClF3N3O3/c20-11-5-6-25-12(7-11)9-29-13-3-1-10(2-4-13)14-8-15(17(24)27)18(28)26-16(14)19(21,22)23/h1-8H,9H2,(H2,24,27)(H,26,28)
InChIKeyVMUNFXINXHWJDA-UHFFFAOYSA-N
MW423.78 g/mol
LogP3.79
Rot. Bonds5

About 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487502) has the molecular formula C19H13ClF3N3O3 and a molecular weight of 423.78 g/mol. Its IUPAC name is 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487502
Molecular FormulaC19H13ClF3N3O3
Molecular Weight423.78 g/mol
Exact Mass423.06
IUPAC Name5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3cc(Cl)ccn3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13ClF3N3O3/c20-11-5-6-25-12(7-11)9-29-13-3-1-10(2-4-13)14-8-15(17(24)27)18(28)26-16(14)19(21,22)23/h1-8H,9H2,(H2,24,27)(H,26,28)
InChIKeyVMUNFXINXHWJDA-UHFFFAOYSA-N
XLogP3.79
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.78
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487502) is 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(OCc3cc(Cl)ccn3)cc2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is VMUNFXINXHWJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O3/c20-11-5-6-25-12(7-11)9-29-13-3-1-10(2-4-13)14-8-15(17(24)27)18(28)26-16(14)19(21,22)23/h1-8H,9H2,(H2,24,27)(H,26,28).
What are the key properties of 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 423.78 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).