7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide

C26H27FN4O3S — CID 177221146

IUPAC7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc3c2C(=O)NC(Cc2ccc(F)cc2)C3)s1
InChIInChI=1S/C26H27FN4O3S/c1-13(2)10-17-21(24(28)32)23(19-8-9-20(35-19)25(33)29-3)22-18(31-17)12-16(30-26(22)34)11-14-4-6-15(27)7-5-14/h4-9,13,16H,10-12H2,1-3H3,(H2,28,32)(H,29,33)(H,30,34)
InChIKeyLJHGWSOLPRRKJW-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.50
Rot. Bonds7

About 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide (PubChem CID 177221146) has the molecular formula C26H27FN4O3S and a molecular weight of 494.59 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide
PubChem CID177221146
Molecular FormulaC26H27FN4O3S
Molecular Weight494.59 g/mol
Exact Mass494.18
IUPAC Name7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc3c2C(=O)NC(Cc2ccc(F)cc2)C3)s1
InChIInChI=1S/C26H27FN4O3S/c1-13(2)10-17-21(24(28)32)23(19-8-9-20(35-19)25(33)29-3)22-18(31-17)12-16(30-26(22)34)11-14-4-6-15(27)7-5-14/h4-9,13,16H,10-12H2,1-3H3,(H2,28,32)(H,29,33)(H,30,34)
InChIKeyLJHGWSOLPRRKJW-UHFFFAOYSA-N
XLogP3.50
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide (CID 177221146) is 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide is CNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc3c2C(=O)NC(Cc2ccc(F)cc2)C3)s1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide?
The InChIKey is LJHGWSOLPRRKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3S/c1-13(2)10-17-21(24(28)32)23(19-8-9-20(35-19)25(33)29-3)22-18(31-17)12-16(30-26(22)34)11-14-4-6-15(27)7-5-14/h4-9,13,16H,10-12H2,1-3H3,(H2,28,32)(H,29,33)(H,30,34).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 177221146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).