5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C19H13FN4O2 — CID 122539654

IUPAC5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cncc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H13FN4O2/c20-15-3-1-14(2-4-15)16-6-17(19(22)25)24-10-18(16)26-11-13-5-12(7-21)8-23-9-13/h1-6,8-10H,11H2,(H2,22,25)
InChIKeyPTTUSNYNGXKAGU-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.83
Rot. Bonds5

About 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539654) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539654
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cncc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H13FN4O2/c20-15-3-1-14(2-4-15)16-6-17(19(22)25)24-10-18(16)26-11-13-5-12(7-21)8-23-9-13/h1-6,8-10H,11H2,(H2,22,25)
InChIKeyPTTUSNYNGXKAGU-UHFFFAOYSA-N
XLogP2.83
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539654) is 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is N#Cc1cncc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is PTTUSNYNGXKAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-15-3-1-14(2-4-15)16-6-17(19(22)25)24-10-18(16)26-11-13-5-12(7-21)8-23-9-13/h1-6,8-10H,11H2,(H2,22,25).
What are the key properties of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).