4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide

C18H16FN3O3 — CID 166139942

IUPAC4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide
SMILESCOCOc1cc(-c2ncc(C(N)=O)c(N)c2F)c2ccccc2c1
InChIInChI=1S/C18H16FN3O3/c1-24-9-25-11-6-10-4-2-3-5-12(10)13(7-11)17-15(19)16(20)14(8-22-17)18(21)23/h2-8H,9H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyPEQNFWCHYHBZQN-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.70
Rot. Bonds5

About 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide

4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide (PubChem CID 166139942) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide
PubChem CID166139942
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide
SMILESCOCOc1cc(-c2ncc(C(N)=O)c(N)c2F)c2ccccc2c1
InChIInChI=1S/C18H16FN3O3/c1-24-9-25-11-6-10-4-2-3-5-12(10)13(7-11)17-15(19)16(20)14(8-22-17)18(21)23/h2-8H,9H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyPEQNFWCHYHBZQN-UHFFFAOYSA-N
XLogP2.70
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide (CID 166139942) is 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide is COCOc1cc(-c2ncc(C(N)=O)c(N)c2F)c2ccccc2c1.
What is the InChIKey of 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide?
The InChIKey is PEQNFWCHYHBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-9-25-11-6-10-4-2-3-5-12(10)13(7-11)17-15(19)16(20)14(8-22-17)18(21)23/h2-8H,9H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide?
4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-6-[3-(methoxymethoxy)naphthalen-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166139942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).