4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide

C19H16FN3O2 — CID 122539663

IUPAC4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide
SMILESCc1ccc(OCc2cnc(C(N)=O)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C19H16FN3O2/c1-12-2-7-16(10-22-12)25-11-14-9-23-18(19(21)24)8-17(14)13-3-5-15(20)6-4-13/h2-10H,11H2,1H3,(H2,21,24)
InChIKeyBIHOACMRACBHPH-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.27
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide (PubChem CID 122539663) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide
PubChem CID122539663
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide
SMILESCc1ccc(OCc2cnc(C(N)=O)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C19H16FN3O2/c1-12-2-7-16(10-22-12)25-11-14-9-23-18(19(21)24)8-17(14)13-3-5-15(20)6-4-13/h2-10H,11H2,1H3,(H2,21,24)
InChIKeyBIHOACMRACBHPH-UHFFFAOYSA-N
XLogP3.27
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide (CID 122539663) is 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide is Cc1ccc(OCc2cnc(C(N)=O)cc2-c2ccc(F)cc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide?
The InChIKey is BIHOACMRACBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-2-7-16(10-22-12)25-11-14-9-23-18(19(21)24)8-17(14)13-3-5-15(20)6-4-13/h2-10H,11H2,1H3,(H2,21,24).
What are the key properties of 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 122539663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).