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4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide

C19H16FN3O3 — CID 122539695

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2cccnc2)c(F)c1
InChIInChI=1S/C19H16FN3O3/c1-25-13-4-5-14(16(20)7-13)15-8-17(19(21)24)23-10-18(15)26-11-12-3-2-6-22-9-12/h2-10H,11H2,1H3,(H2,21,24)
InChIKeyPVVDKOSKCGDGTG-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.97
Rot. Bonds6

About 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide

4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide (PubChem CID 122539695) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide
PubChem CID122539695
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)ncc2OCc2cccnc2)c(F)c1
InChIInChI=1S/C19H16FN3O3/c1-25-13-4-5-14(16(20)7-13)15-8-17(19(21)24)23-10-18(15)26-11-12-3-2-6-22-9-12/h2-10H,11H2,1H3,(H2,21,24)
InChIKeyPVVDKOSKCGDGTG-UHFFFAOYSA-N
XLogP2.97
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.97
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-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide (CID 122539695) is 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide is COc1ccc(-c2cc(C(N)=O)ncc2OCc2cccnc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is PVVDKOSKCGDGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-25-13-4-5-14(16(20)7-13)15-8-17(19(21)24)23-10-18(15)26-11-12-3-2-6-22-9-12/h2-10H,11H2,1H3,(H2,21,24).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.97, 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-(pyridin-3-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 122539695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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