2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide

C25H20FN3O3 — CID 20929649

IUPAC2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C25H20FN3O3/c1-15-4-3-5-19(12-15)28-22(30)14-29-13-21(23(31)17-7-9-18(26)10-8-17)24(32)20-11-6-16(2)27-25(20)29/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyLHOUHYGZQHJJAO-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.02
Rot. Bonds5

About 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 20929649) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID20929649
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C25H20FN3O3/c1-15-4-3-5-19(12-15)28-22(30)14-29-13-21(23(31)17-7-9-18(26)10-8-17)24(32)20-11-6-16(2)27-25(20)29/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyLHOUHYGZQHJJAO-UHFFFAOYSA-N
XLogP4.02
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929669
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20929684
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20929617
N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929548
N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929576
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 20929612
2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 53087039
ethyl 2-[[2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 20929680
N-(2,5-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929530
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 20929630
N-(3,4-dimethylphenyl)-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929719
N-(2,5-dimethoxyphenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929658

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide (CID 20929649) is 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1.
What is the InChIKey of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is LHOUHYGZQHJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-15-4-3-5-19(12-15)28-22(30)14-29-13-21(23(31)17-7-9-18(26)10-8-17)24(32)20-11-6-16(2)27-25(20)29/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 429.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 20929649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).