1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide

C26H19F2N3O2S — CID 159081235

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc3c(c2)C=NC3)s1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H19F2N3O2S/c27-22-7-3-16(10-23(22)28)15-31-9-1-2-21(26(31)33)25(32)30-14-20-6-8-24(34-20)17-4-5-18-12-29-13-19(18)11-17/h1-11,13H,12,14-15H2,(H,30,32)
InChIKeySSRAAFHWIJCTJB-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.77
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 159081235) has the molecular formula C26H19F2N3O2S and a molecular weight of 475.52 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID159081235
Molecular FormulaC26H19F2N3O2S
Molecular Weight475.52 g/mol
Exact Mass475.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc3c(c2)C=NC3)s1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H19F2N3O2S/c27-22-7-3-16(10-23(22)28)15-31-9-1-2-21(26(31)33)25(32)30-14-20-6-8-24(34-20)17-4-5-18-12-29-13-19(18)11-17/h1-11,13H,12,14-15H2,(H,30,32)
InChIKeySSRAAFHWIJCTJB-UHFFFAOYSA-N
XLogP4.77
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1-phenylindazol-5-yl)thiophen-2-yl]methyl]pyridine-3-carboxamide
CID 123647972
N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 59362735
N-[[5-(3-amino-1,3-dimethyl-2H-pyrrol-4-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;ethane;ethanimine;ethene;formaldehyde;toluene
CID 143605346
[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]boronic acid
CID 59362353
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777
4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 147339914
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[2-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]pyridine-3-carboxamide
CID 147069175
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
CID 67477836
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 149385628
1-[(3,4-difluorophenyl)methyl]-N-[[3-(5-methoxy-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 70881503
N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 140551893

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide (CID 159081235) is 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide is O=C(NCc1ccc(-c2ccc3c(c2)C=NC3)s1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is SSRAAFHWIJCTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2S/c27-22-7-3-16(10-23(22)28)15-31-9-1-2-21(26(31)33)25(32)30-14-20-6-8-24(34-20)17-4-5-18-12-29-13-19(18)11-17/h1-11,13H,12,14-15H2,(H,30,32).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 159081235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).