N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide

C25H22F3N3O2 — CID 42169751

IUPACN-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C25H22F3N3O2/c1-15-20(13-30-25(33)19-4-2-3-5-21(19)26)18-8-9-31(14-17(18)12-29-15)24(32)11-16-6-7-22(27)23(28)10-16/h2-7,10,12H,8-9,11,13-14H2,1H3,(H,30,33)
InChIKeyOLRQBWSKJBJOBZ-UHFFFAOYSA-N
MW453.46 g/mol
LogP3.86
Rot. Bonds5

About N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide

N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide (PubChem CID 42169751) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
PubChem CID42169751
Molecular FormulaC25H22F3N3O2
Molecular Weight453.46 g/mol
Exact Mass453.17
IUPAC NameN-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C25H22F3N3O2/c1-15-20(13-30-25(33)19-4-2-3-5-21(19)26)18-8-9-31(14-17(18)12-29-15)24(32)11-16-6-7-22(27)23(28)10-16/h2-7,10,12H,8-9,11,13-14H2,1H3,(H,30,33)
InChIKeyOLRQBWSKJBJOBZ-UHFFFAOYSA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide (CID 42169751) is N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide is Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)Cc1ccc(F)c(F)c1)C2.
What is the InChIKey of N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The InChIKey is OLRQBWSKJBJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c1-15-20(13-30-25(33)19-4-2-3-5-21(19)26)18-8-9-31(14-17(18)12-29-15)24(32)11-16-6-7-22(27)23(28)10-16/h2-7,10,12H,8-9,11,13-14H2,1H3,(H,30,33).
What are the key properties of N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide has a molecular weight of 453.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(3,4-difluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 42169751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).