4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide

C20H18FN3O3 — CID 122539601

IUPAC4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2ccc(C)nc2)c(F)c1
InChIInChI=1S/C20H18FN3O3/c1-12-3-4-13(9-23-12)11-27-19-10-24-18(20(22)25)8-16(19)15-6-5-14(26-2)7-17(15)21/h3-10H,11H2,1-2H3,(H2,22,25)
InChIKeyIZIBSGQPFIKWGL-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.28
Rot. Bonds6

About 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide

4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide (PubChem CID 122539601) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide
PubChem CID122539601
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2ccc(C)nc2)c(F)c1
InChIInChI=1S/C20H18FN3O3/c1-12-3-4-13(9-23-12)11-27-19-10-24-18(20(22)25)8-16(19)15-6-5-14(26-2)7-17(15)21/h3-10H,11H2,1-2H3,(H2,22,25)
InChIKeyIZIBSGQPFIKWGL-UHFFFAOYSA-N
XLogP3.28
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide (CID 122539601) is 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide is COc1ccc(-c2cc(C(N)=O)ncc2OCc2ccc(C)nc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide?
The InChIKey is IZIBSGQPFIKWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-3-4-13(9-23-12)11-27-19-10-24-18(20(22)25)8-16(19)15-6-5-14(26-2)7-17(15)21/h3-10H,11H2,1-2H3,(H2,22,25).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide?
4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).