2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide

C25H23ClFN3O2 — CID 142580161

IUPAC2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H23ClFN3O2/c1-25(2,24(32)28-19-10-8-18(27)9-11-19)22-13-12-21-20(29-22)7-4-14-30(21)23(31)16-5-3-6-17(26)15-16/h3,5-6,8-13,15H,4,7,14H2,1-2H3,(H,28,32)
InChIKeyAHKPCOGTFFXAQP-UHFFFAOYSA-N
MW451.93 g/mol
LogP5.38
Rot. Bonds4

About 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide

2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 142580161) has the molecular formula C25H23ClFN3O2 and a molecular weight of 451.93 g/mol. Its IUPAC name is 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide
PubChem CID142580161
Molecular FormulaC25H23ClFN3O2
Molecular Weight451.93 g/mol
Exact Mass451.15
IUPAC Name2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H23ClFN3O2/c1-25(2,24(32)28-19-10-8-18(27)9-11-19)22-13-12-21-20(29-22)7-4-14-30(21)23(31)16-5-3-6-17(26)15-16/h3,5-6,8-13,15H,4,7,14H2,1-2H3,(H,28,32)
InChIKeyAHKPCOGTFFXAQP-UHFFFAOYSA-N
XLogP5.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.93
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide with MolForge

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Related Compounds

3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one
CID 158326512
N-[1-[5-(3,5-dichlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580335
4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553
(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
CID 142580338
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
tert-butyl 6-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 159885373
1-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248236
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide (CID 142580161) is 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is AHKPCOGTFFXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O2/c1-25(2,24(32)28-19-10-8-18(27)9-11-19)22-13-12-21-20(29-22)7-4-14-30(21)23(31)16-5-3-6-17(26)15-16/h3,5-6,8-13,15H,4,7,14H2,1-2H3,(H,28,32).
What are the key properties of 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 451.93 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 142580161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).