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

C29H35FN4O3S — CID 177221145

IUPAC7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide;propane
SMILESCCC.CNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc3c2C(=O)NC(Cc2ccc(F)cc2)C3)s1
InChIInChI=1S/C26H27FN4O3S.C3H8/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;1-3-2/h4-9,13,16H,10-12H2,1-3H3,(H2,28,32)(H,29,33)(H,30,34);3H2,1-2H3
InChIKeyAKSQNAPNGXJDDP-UHFFFAOYSA-N
MW538.69 g/mol
LogP4.92
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;propane

7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide;propane (PubChem CID 177221145) has the molecular formula C29H35FN4O3S and a molecular weight of 538.69 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;propane.

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;propane
PubChem CID177221145
Molecular FormulaC29H35FN4O3S
Molecular Weight538.69 g/mol
Exact Mass538.24
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;propane
SMILESCCC.CNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc3c2C(=O)NC(Cc2ccc(F)cc2)C3)s1
InChIInChI=1S/C26H27FN4O3S.C3H8/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;1-3-2/h4-9,13,16H,10-12H2,1-3H3,(H2,28,32)(H,29,33)(H,30,34);3H2,1-2H3
InChIKeyAKSQNAPNGXJDDP-UHFFFAOYSA-N
XLogP4.92
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.69
LogP ≤ 54.92
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;propane 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;propane?
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;propane (CID 177221145) 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;propane.
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;propane?
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;propane is CCC.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;propane?
The InChIKey is AKSQNAPNGXJDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3S.C3H8/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;1-3-2/h4-9,13,16H,10-12H2,1-3H3,(H2,28,32)(H,29,33)(H,30,34);3H2,1-2H3.
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;propane?
7-[(4-fluorophenyl)methyl]-4-[5-(methylcarbamoyl)thiophen-2-yl]-2-(2-methylpropyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxamide;propane has a molecular weight of 538.69 g/mol, XLogP of 4.92, 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;propane is sourced from PubChem (CID 177221145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).