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

C21H22FN3O2 — CID 142580536

IUPACN-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1
InChIInChI=1S/C21H22FN3O2/c1-13(23-20(26)14-6-8-16(22)9-7-14)17-10-11-19-18(24-17)3-2-12-25(19)21(27)15-4-5-15/h6-11,13,15H,2-5,12H2,1H3,(H,23,26)
InChIKeyVTDQHHOMUSUZBW-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.40
Rot. Bonds4

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

N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide (PubChem CID 142580536) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
PubChem CID142580536
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1
InChIInChI=1S/C21H22FN3O2/c1-13(23-20(26)14-6-8-16(22)9-7-14)17-10-11-19-18(24-17)3-2-12-25(19)21(27)15-4-5-15/h6-11,13,15H,2-5,12H2,1H3,(H,23,26)
InChIKeyVTDQHHOMUSUZBW-UHFFFAOYSA-N
XLogP3.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580112
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-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553
4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580538
2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580150
6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093205
4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate
CID 142580558
1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide (CID 142580536) is N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1.
What is the InChIKey of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The InChIKey is VTDQHHOMUSUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13(23-20(26)14-6-8-16(22)9-7-14)17-10-11-19-18(24-17)3-2-12-25(19)21(27)15-4-5-15/h6-11,13,15H,2-5,12H2,1H3,(H,23,26).
What are the key properties of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide has a molecular weight of 367.42 g/mol, XLogP of 3.40, 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)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 142580536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).