N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide

C21H21F2N3O2 — CID 142580112

IUPACN-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C(F)CCN2C(=O)C1CC1
InChIInChI=1S/C21H21F2N3O2/c1-12(24-20(27)13-4-6-15(22)7-5-13)17-8-9-18-19(25-17)16(23)10-11-26(18)21(28)14-2-3-14/h4-9,12,14,16H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyXJIJNMBPCNTWRI-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.87
Rot. Bonds4

About N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide

N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide (PubChem CID 142580112) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
PubChem CID142580112
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C(F)CCN2C(=O)C1CC1
InChIInChI=1S/C21H21F2N3O2/c1-12(24-20(27)13-4-6-15(22)7-5-13)17-8-9-18-19(25-17)16(23)10-11-26(18)21(28)14-2-3-14/h4-9,12,14,16H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyXJIJNMBPCNTWRI-UHFFFAOYSA-N
XLogP3.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580536
cyclopropyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 162649592
cyclobutyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580114
cyclopentyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580192
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-(4-fluoropyridine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580167
4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580538
4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 46540265
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide (CID 142580112) is N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C(F)CCN2C(=O)C1CC1.
What is the InChIKey of N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The InChIKey is XJIJNMBPCNTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-12(24-20(27)13-4-6-15(22)7-5-13)17-8-9-18-19(25-17)16(23)10-11-26(18)21(28)14-2-3-14/h4-9,12,14,16H,2-3,10-11H2,1H3,(H,24,27).
What are the key properties of N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide has a molecular weight of 385.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 142580112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).