5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

C18H11ClF3N3O2 — CID 11538436

IUPAC5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ncccc2Cl)cn1
InChIInChI=1S/C18H11ClF3N3O2/c19-14-5-2-8-23-16(14)11-6-7-15(24-10-11)17(26)25-12-3-1-4-13(9-12)27-18(20,21)22/h1-10H,(H,25,26)
InChIKeyXKPXTEDUYIUZGJ-UHFFFAOYSA-N
MW393.75 g/mol
LogP4.95
Rot. Bonds4

About 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 11538436) has the molecular formula C18H11ClF3N3O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID11538436
Molecular FormulaC18H11ClF3N3O2
Molecular Weight393.75 g/mol
Exact Mass393.05
IUPAC Name5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ncccc2Cl)cn1
InChIInChI=1S/C18H11ClF3N3O2/c19-14-5-2-8-23-16(14)11-6-7-15(24-10-11)17(26)25-12-3-1-4-13(9-12)27-18(20,21)22/h1-10H,(H,25,26)
InChIKeyXKPXTEDUYIUZGJ-UHFFFAOYSA-N
XLogP4.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.75
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 11538436) is 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ncccc2Cl)cn1.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is XKPXTEDUYIUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2/c19-14-5-2-8-23-16(14)11-6-7-15(24-10-11)17(26)25-12-3-1-4-13(9-12)27-18(20,21)22/h1-10H,(H,25,26).
What are the key properties of 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 393.75 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 11538436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).