N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide

C26H26FN3O3S — CID 26351824

IUPACN-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)CCC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C26H26FN3O3S/c1-16-10-12-34-25(16)26(33)29-14-22-17(2)28-13-19-15-30(11-9-21(19)22)24(32)8-7-23(31)18-3-5-20(27)6-4-18/h3-6,10,12-13H,7-9,11,14-15H2,1-2H3,(H,29,33)
InChIKeyLVGQXBRKOGVPLI-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.38
Rot. Bonds7

About N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide

N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 26351824) has the molecular formula C26H26FN3O3S and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID26351824
Molecular FormulaC26H26FN3O3S
Molecular Weight479.58 g/mol
Exact Mass479.17
IUPAC NameN-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)CCC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C26H26FN3O3S/c1-16-10-12-34-25(16)26(33)29-14-22-17(2)28-13-19-15-30(11-9-21(19)22)24(32)8-7-23(31)18-3-5-20(27)6-4-18/h3-6,10,12-13H,7-9,11,14-15H2,1-2H3,(H,29,33)
InChIKeyLVGQXBRKOGVPLI-UHFFFAOYSA-N
XLogP4.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide (CID 26351824) is N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)CCC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is LVGQXBRKOGVPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3S/c1-16-10-12-34-25(16)26(33)29-14-22-17(2)28-13-19-15-30(11-9-21(19)22)24(32)8-7-23(31)18-3-5-20(27)6-4-18/h3-6,10,12-13H,7-9,11,14-15H2,1-2H3,(H,29,33).
What are the key properties of N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?
N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 26351824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).