N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C24H22FN3O3 — CID 134806416

IUPACN-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C24H22FN3O3/c1-31-22-10-3-2-6-16(22)13-23(29)28-11-5-9-20-21(28)12-17(15-26-20)24(30)27-19-8-4-7-18(25)14-19/h2-4,6-8,10,12,14-15H,5,9,11,13H2,1H3,(H,27,30)
InChIKeyVREYIUQUQPLDJD-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.00
Rot. Bonds5

About N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134806416) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134806416
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C24H22FN3O3/c1-31-22-10-3-2-6-16(22)13-23(29)28-11-5-9-20-21(28)12-17(15-26-20)24(30)27-19-8-4-7-18(25)14-19/h2-4,6-8,10,12,14-15H,5,9,11,13H2,1H3,(H,27,30)
InChIKeyVREYIUQUQPLDJD-UHFFFAOYSA-N
XLogP4.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134806416) is N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is COc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3cccc(F)c3)cc21.
What is the InChIKey of N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is VREYIUQUQPLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-31-22-10-3-2-6-16(22)13-23(29)28-11-5-9-20-21(28)12-17(15-26-20)24(30)27-19-8-4-7-18(25)14-19/h2-4,6-8,10,12,14-15H,5,9,11,13H2,1H3,(H,27,30).
What are the key properties of N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134806416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).