1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide

C26H24FN3O2S — CID 167473621

IUPAC1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESCNCc1csc(-c2cccc([C@@H](C)NC(=O)c3ccc(=O)n(-c4ccccc4F)c3)c2)c1
InChIInChI=1S/C26H24FN3O2S/c1-17(19-6-5-7-20(13-19)24-12-18(14-28-2)16-33-24)29-26(32)21-10-11-25(31)30(15-21)23-9-4-3-8-22(23)27/h3-13,15-17,28H,14H2,1-2H3,(H,29,32)/t17-/m1/s1
InChIKeyWXWDVJABLFAPHZ-QGZVFWFLSA-N
MW461.56 g/mol
LogP4.92
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide

1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 167473621) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide
PubChem CID167473621
Molecular FormulaC26H24FN3O2S
Molecular Weight461.56 g/mol
Exact Mass461.16
IUPAC Name1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESCNCc1csc(-c2cccc([C@@H](C)NC(=O)c3ccc(=O)n(-c4ccccc4F)c3)c2)c1
InChIInChI=1S/C26H24FN3O2S/c1-17(19-6-5-7-20(13-19)24-12-18(14-28-2)16-33-24)29-26(32)21-10-11-25(31)30(15-21)23-9-4-3-8-22(23)27/h3-13,15-17,28H,14H2,1-2H3,(H,29,32)/t17-/m1/s1
InChIKeyWXWDVJABLFAPHZ-QGZVFWFLSA-N
XLogP4.92
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-(2-fluorophenyl)-N-[1-[3-(3-formylthiophen-2-yl)phenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175582854
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 175582890
methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 163348793
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 92814322
N-[1-(3-fluorophenyl)ethyl]-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123920403
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78949059
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
4-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide
CID 42831441

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide (CID 167473621) is 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide is CNCc1csc(-c2cccc([C@@H](C)NC(=O)c3ccc(=O)n(-c4ccccc4F)c3)c2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is WXWDVJABLFAPHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-17(19-6-5-7-20(13-19)24-12-18(14-28-2)16-33-24)29-26(32)21-10-11-25(31)30(15-21)23-9-4-3-8-22(23)27/h3-13,15-17,28H,14H2,1-2H3,(H,29,32)/t17-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide?
1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1R)-1-[3-[4-(methylaminomethyl)thiophen-2-yl]phenyl]ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 167473621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).