N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C23H19BrF2N2O2 — CID 140551893

IUPACN-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NC1CCCc2ccc(Br)cc21)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H19BrF2N2O2/c24-16-8-7-15-3-1-5-21(18(15)12-16)27-22(29)17-4-2-10-28(23(17)30)13-14-6-9-19(25)20(26)11-14/h2,4,6-12,21H,1,3,5,13H2,(H,27,29)
InChIKeyVPXGYDGUQWRARN-UHFFFAOYSA-N
MW473.32 g/mol
LogP4.74
Rot. Bonds4

About N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 140551893) has the molecular formula C23H19BrF2N2O2 and a molecular weight of 473.32 g/mol. Its IUPAC name is N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID140551893
Molecular FormulaC23H19BrF2N2O2
Molecular Weight473.32 g/mol
Exact Mass472.06
IUPAC NameN-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NC1CCCc2ccc(Br)cc21)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H19BrF2N2O2/c24-16-8-7-15-3-1-5-21(18(15)12-16)27-22(29)17-4-2-10-28(23(17)30)13-14-6-9-19(25)20(26)11-14/h2,4,6-12,21H,1,3,5,13H2,(H,27,29)
InChIKeyVPXGYDGUQWRARN-UHFFFAOYSA-N
XLogP4.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[2-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]pyridine-3-carboxamide
CID 147069175
3-(3,4-difluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46686154
2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 43063208
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55855389
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
CID 159081235
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 140551893) is N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(NC1CCCc2ccc(Br)cc21)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VPXGYDGUQWRARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrF2N2O2/c24-16-8-7-15-3-1-5-21(18(15)12-16)27-22(29)17-4-2-10-28(23(17)30)13-14-6-9-19(25)20(26)11-14/h2,4,6-12,21H,1,3,5,13H2,(H,27,29).
What are the key properties of N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 473.32 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 140551893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).