4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

C24H18FN3O3 — CID 59813242

IUPAC4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(F)cc4)cccc3c2)ccn1
InChIInChI=1S/C24H18FN3O3/c1-26-24(30)22-14-19(11-12-27-22)31-18-9-10-20-15(13-18)3-2-4-21(20)23(29)28-17-7-5-16(25)6-8-17/h2-14H,1H3,(H,26,30)(H,28,29)
InChIKeySHPYRWSXUOSFPP-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.78
Rot. Bonds5

About 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 59813242) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID59813242
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(F)cc4)cccc3c2)ccn1
InChIInChI=1S/C24H18FN3O3/c1-26-24(30)22-14-19(11-12-27-22)31-18-9-10-20-15(13-18)3-2-4-21(20)23(29)28-17-7-5-16(25)6-8-17/h2-14H,1H3,(H,26,30)(H,28,29)
InChIKeySHPYRWSXUOSFPP-UHFFFAOYSA-N
XLogP4.78
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (CID 59813242) is 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(F)cc4)cccc3c2)ccn1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is SHPYRWSXUOSFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c1-26-24(30)22-14-19(11-12-27-22)31-18-9-10-20-15(13-18)3-2-4-21(20)23(29)28-17-7-5-16(25)6-8-17/h2-14H,1H3,(H,26,30)(H,28,29).
What are the key properties of 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59813242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).