4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate

C24H28FN5O3 — CID 142580558

IUPAC4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C.Cn1ccc(COC=O)n1
InChIInChI=1S/C18H20FN3O.C6H8N2O2/c1-12(20-18(23)13-5-7-14(19)8-6-13)15-9-10-17-16(21-15)4-3-11-22(17)2;1-8-3-2-6(7-8)4-10-5-9/h5-10,12H,3-4,11H2,1-2H3,(H,20,23);2-3,5H,4H2,1H3
InChIKeyCNOGILMGICFXOJ-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.19
Rot. Bonds6

About 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate

4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate (PubChem CID 142580558) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate
PubChem CID142580558
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Name4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C.Cn1ccc(COC=O)n1
InChIInChI=1S/C18H20FN3O.C6H8N2O2/c1-12(20-18(23)13-5-7-14(19)8-6-13)15-9-10-17-16(21-15)4-3-11-22(17)2;1-8-3-2-6(7-8)4-10-5-9/h5-10,12H,3-4,11H2,1-2H3,(H,20,23);2-3,5H,4H2,1H3
InChIKeyCNOGILMGICFXOJ-UHFFFAOYSA-N
XLogP3.19
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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
N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580536
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
4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580538
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
2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580150
2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal
CID 142580280
N-[1-[5-(cyclopropanecarbonyl)-8-fluoro-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580112
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate?
The IUPAC name of 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) is 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate.
What is the SMILES notation for 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate?
The canonical SMILES for 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate is CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C.Cn1ccc(COC=O)n1.
What is the InChIKey of 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate?
The InChIKey is CNOGILMGICFXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O.C6H8N2O2/c1-12(20-18(23)13-5-7-14(19)8-6-13)15-9-10-17-16(21-15)4-3-11-22(17)2;1-8-3-2-6(7-8)4-10-5-9/h5-10,12H,3-4,11H2,1-2H3,(H,20,23);2-3,5H,4H2,1H3.
What are the key properties of 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate?
4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate has a molecular weight of 453.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate is sourced from PubChem (CID 142580558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).